4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

C99H101N23O8S — CID 159644696

IUPAC4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1.Cn1cc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)cn1.Cn1cnc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)c1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc5ncsc5c4)CCOCC3)cc2)cn1
InChIInChI=1S/C26H30N4O2.2C25H25N7O2.C23H21N5O2S/c1-25(2,3)20-8-10-22(11-9-20)30-23(31)26(12-14-32-15-13-26)21-6-4-18(5-7-21)19-16-28-24(27)29-17-19;1-32-16-20(15-30-32)18-4-7-22(27-12-18)31-23(33)25(8-10-34-11-9-25)21-5-2-17(3-6-21)19-13-28-24(26)29-14-19;1-32-15-21(30-16-32)18-4-7-22(27-12-18)31-23(33)25(8-10-34-11-9-25)20-5-2-17(3-6-20)19-13-28-24(26)29-14-19;24-22-25-12-16(13-26-22)15-1-3-17(4-2-15)23(7-9-30-10-8-23)21(29)28-18-5-6-19-20(11-18)31-14-27-19/h4-11,16-17H,12-15H2,1-3H3,(H,30,31)(H2,27,28,29);2*2-7,12-16H,8-11H2,1H3,(H2,26,28,29)(H,27,31,33);1-6,11-14H,7-10H2,(H,28,29)(H2,24,25,26)
InChIKeyMQUPHDMIHXPVPI-UHFFFAOYSA-N
MW1773.12 g/mol
LogP15.15
Rot. Bonds18

About 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 159644696) has the molecular formula C99H101N23O8S and a molecular weight of 1773.12 g/mol. Its IUPAC name is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID159644696
Molecular FormulaC99H101N23O8S
Molecular Weight1773.12 g/mol
Exact Mass1771.79
IUPAC Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1.Cn1cc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)cn1.Cn1cnc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)c1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc5ncsc5c4)CCOCC3)cc2)cn1
InChIInChI=1S/C26H30N4O2.2C25H25N7O2.C23H21N5O2S/c1-25(2,3)20-8-10-22(11-9-20)30-23(31)26(12-14-32-15-13-26)21-6-4-18(5-7-21)19-16-28-24(27)29-17-19;1-32-16-20(15-30-32)18-4-7-22(27-12-18)31-23(33)25(8-10-34-11-9-25)21-5-2-17(3-6-21)19-13-28-24(26)29-14-19;1-32-15-21(30-16-32)18-4-7-22(27-12-18)31-23(33)25(8-10-34-11-9-25)20-5-2-17(3-6-20)19-13-28-24(26)29-14-19;24-22-25-12-16(13-26-22)15-1-3-17(4-2-15)23(7-9-30-10-8-23)21(29)28-18-5-6-19-20(11-18)31-14-27-19/h4-11,16-17H,12-15H2,1-3H3,(H,30,31)(H2,27,28,29);2*2-7,12-16H,8-11H2,1H3,(H2,26,28,29)(H,27,31,33);1-6,11-14H,7-10H2,(H,28,29)(H2,24,25,26)
InChIKeyMQUPHDMIHXPVPI-UHFFFAOYSA-N
XLogP15.15
TPSA434.83 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001773.12
LogP ≤ 515.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide with MolForge

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Related Compounds

6-[4-Methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158150449
6-[4-Methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158153469
2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[3,5-dimethyl-1-(2H-pyrrol-4-yl)pyrazol-4-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(1-methyl-4-pyridin-3-ylimidazol-2-yl)-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 158223828
8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one
CID 159715233
4-[4-(5-amino-6-methylpyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-benzylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 159744430
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-methyl-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-(6-methyl-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 161587877
2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-cyclopentyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]acetamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]oxane-4-carboxamide
CID 161918040

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (CID 159644696) is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is CC(C)(C)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1.Cn1cc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)cn1.Cn1cnc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)c1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc5ncsc5c4)CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is MQUPHDMIHXPVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2.2C25H25N7O2.C23H21N5O2S/c1-25(2,3)20-8-10-22(11-9-20)30-23(31)26(12-14-32-15-13-26)21-6-4-18(5-7-21)19-16-28-24(27)29-17-19;1-32-16-20(15-30-32)18-4-7-22(27-12-18)31-23(33)25(8-10-34-11-9-25)21-5-2-17(3-6-21)19-13-28-24(26)29-14-19;1-32-15-21(30-16-32)18-4-7-22(27-12-18)31-23(33)25(8-10-34-11-9-25)20-5-2-17(3-6-20)19-13-28-24(26)29-14-19;24-22-25-12-16(13-26-22)15-1-3-17(4-2-15)23(7-9-30-10-8-23)21(29)28-18-5-6-19-20(11-18)31-14-27-19/h4-11,16-17H,12-15H2,1-3H3,(H,30,31)(H2,27,28,29);2*2-7,12-16H,8-11H2,1H3,(H2,26,28,29)(H,27,31,33);1-6,11-14H,7-10H2,(H,28,29)(H2,24,25,26).
What are the key properties of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 1773.12 g/mol, XLogP of 15.15, 18 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-tert-butylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 159644696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).