4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide

C135H136ClN29O13 — CID 158148988

IUPAC4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide
SMILESCC(C)C(C)(C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2cnc(N)nc2)cc1.Cc1cc(C)nc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)c1.Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)nc1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc5c(c4)OCO5)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccccn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cnc5ccccc5c4)CCOCC3)cc2)cn1
InChIInChI=1S/C25H23N5O2.C23H25N5O2.C23H22N4O4.C22H23N5O2.C21H22ClN5O.C21H21N5O2/c26-24-28-14-19(15-29-24)17-5-7-20(8-6-17)25(9-11-32-12-10-25)23(31)30-21-13-18-3-1-2-4-22(18)27-16-21;1-15-11-16(2)27-20(12-15)28-21(29)23(7-9-30-10-8-23)19-5-3-17(4-6-19)18-13-25-22(24)26-14-18;24-22-25-12-16(13-26-22)15-1-3-17(4-2-15)23(7-9-29-10-8-23)21(28)27-18-5-6-19-20(11-18)31-14-30-19;1-15-2-7-19(24-12-15)27-20(28)22(8-10-29-11-9-22)18-5-3-16(4-6-18)17-13-25-21(23)26-14-17;1-13(2)21(3,19(28)27-18-9-8-17(22)12-24-18)16-6-4-14(5-7-16)15-10-25-20(23)26-11-15;22-20-24-13-16(14-25-20)15-4-6-17(7-5-15)21(8-11-28-12-9-21)19(27)26-18-3-1-2-10-23-18/h1-8,13-16H,9-12H2,(H,30,31)(H2,26,28,29);3-6,11-14H,7-10H2,1-2H3,(H2,24,25,26)(H,27,28,29);1-6,11-13H,7-10,14H2,(H,27,28)(H2,24,25,26);2-7,12-14H,8-11H2,1H3,(H2,23,25,26)(H,24,27,28);4-13H,1-3H3,(H2,23,25,26)(H,24,27,28);1-7,10,13-14H,8-9,11-12H2,(H2,22,24,25)(H,23,26,27)
InChIKeyFUWCGMXUWVOUSK-UHFFFAOYSA-N
MW2408.22 g/mol
LogP20.78
Rot. Bonds25

About 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide

4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide (PubChem CID 158148988) has the molecular formula C135H136ClN29O13 and a molecular weight of 2408.22 g/mol. Its IUPAC name is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide
PubChem CID158148988
Molecular FormulaC135H136ClN29O13
Molecular Weight2408.22 g/mol
Exact Mass2406.06
IUPAC Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide
SMILESCC(C)C(C)(C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2cnc(N)nc2)cc1.Cc1cc(C)nc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)c1.Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)nc1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc5c(c4)OCO5)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccccn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cnc5ccccc5c4)CCOCC3)cc2)cn1
InChIInChI=1S/C25H23N5O2.C23H25N5O2.C23H22N4O4.C22H23N5O2.C21H22ClN5O.C21H21N5O2/c26-24-28-14-19(15-29-24)17-5-7-20(8-6-17)25(9-11-32-12-10-25)23(31)30-21-13-18-3-1-2-4-22(18)27-16-21;1-15-11-16(2)27-20(12-15)28-21(29)23(7-9-30-10-8-23)19-5-3-17(4-6-19)18-13-25-22(24)26-14-18;24-22-25-12-16(13-26-22)15-1-3-17(4-2-15)23(7-9-29-10-8-23)21(28)27-18-5-6-19-20(11-18)31-14-30-19;1-15-2-7-19(24-12-15)27-20(28)22(8-10-29-11-9-22)18-5-3-16(4-6-18)17-13-25-21(23)26-14-17;1-13(2)21(3,19(28)27-18-9-8-17(22)12-24-18)16-6-4-14(5-7-16)15-10-25-20(23)26-11-15;22-20-24-13-16(14-25-20)15-4-6-17(7-5-15)21(8-11-28-12-9-21)19(27)26-18-3-1-2-10-23-18/h1-8,13-16H,9-12H2,(H,30,31)(H2,26,28,29);3-6,11-14H,7-10H2,1-2H3,(H2,24,25,26)(H,27,28,29);1-6,11-13H,7-10,14H2,(H,27,28)(H2,24,25,26);2-7,12-14H,8-11H2,1H3,(H2,23,25,26)(H,24,27,28);4-13H,1-3H3,(H2,23,25,26)(H,24,27,28);1-7,10,13-14H,8-9,11-12H2,(H2,22,24,25)(H,23,26,27)
InChIKeyFUWCGMXUWVOUSK-UHFFFAOYSA-N
XLogP20.78
TPSA614.46 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds25
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002408.22
LogP ≤ 520.78
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide?
The IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide (CID 158148988) is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide.
What is the SMILES notation for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide?
The canonical SMILES for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide is CC(C)C(C)(C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2cnc(N)nc2)cc1.Cc1cc(C)nc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)c1.Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)nc1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc5c(c4)OCO5)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccccn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cnc5ccccc5c4)CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide?
The InChIKey is FUWCGMXUWVOUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2.C23H25N5O2.C23H22N4O4.C22H23N5O2.C21H22ClN5O.C21H21N5O2/c26-24-28-14-19(15-29-24)17-5-7-20(8-6-17)25(9-11-32-12-10-25)23(31)30-21-13-18-3-1-2-4-22(18)27-16-21;1-15-11-16(2)27-20(12-15)28-21(29)23(7-9-30-10-8-23)19-5-3-17(4-6-19)18-13-25-22(24)26-14-18;24-22-25-12-16(13-26-22)15-1-3-17(4-2-15)23(7-9-29-10-8-23)21(28)27-18-5-6-19-20(11-18)31-14-30-19;1-15-2-7-19(24-12-15)27-20(28)22(8-10-29-11-9-22)18-5-3-16(4-6-18)17-13-25-21(23)26-14-17;1-13(2)21(3,19(28)27-18-9-8-17(22)12-24-18)16-6-4-14(5-7-16)15-10-25-20(23)26-11-15;22-20-24-13-16(14-25-20)15-4-6-17(7-5-15)21(8-11-28-12-9-21)19(27)26-18-3-1-2-10-23-18/h1-8,13-16H,9-12H2,(H,30,31)(H2,26,28,29);3-6,11-14H,7-10H2,1-2H3,(H2,24,25,26)(H,27,28,29);1-6,11-13H,7-10,14H2,(H,27,28)(H2,24,25,26);2-7,12-14H,8-11H2,1H3,(H2,23,25,26)(H,24,27,28);4-13H,1-3H3,(H2,23,25,26)(H,24,27,28);1-7,10,13-14H,8-9,11-12H2,(H2,22,24,25)(H,23,26,27).
What are the key properties of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide?
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide has a molecular weight of 2408.22 g/mol, XLogP of 20.78, 25 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzodioxol-5-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-chloro-2-pyridinyl)-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-yloxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-quinolin-3-yloxane-4-carboxamide is sourced from PubChem (CID 158148988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).