5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C101H126N20O11S3 — CID 157349545

IUPAC5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(N2CCNCC2)nc1.Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(N2CCOCC2)nc1.Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(NCCN2CCOCC2)nc1
InChIInChI=1S/C35H45N7O4S.C33H41N7O3S.C33H40N6O4S/c1-23(2)46-31-19-25(5)28(27-11-12-33(37-22-27)36-13-14-42-15-17-45-18-16-42)20-30(31)40-35-38-21-26(6)34(41-35)39-29-9-7-8-10-32(29)47(43,44)24(3)4;1-21(2)43-29-17-23(5)26(25-11-12-31(35-20-25)40-15-13-34-14-16-40)18-28(29)38-33-36-19-24(6)32(39-33)37-27-9-7-8-10-30(27)44(41,42)22(3)4;1-21(2)43-29-17-23(5)26(25-11-12-31(34-20-25)39-13-15-42-16-14-39)18-28(29)37-33-35-19-24(6)32(38-33)36-27-9-7-8-10-30(27)44(40,41)22(3)4/h7-12,19-24H,13-18H2,1-6H3,(H,36,37)(H2,38,39,40,41);7-12,17-22,34H,13-16H2,1-6H3,(H2,36,37,38,39);7-12,17-22H,13-16H2,1-6H3,(H2,35,36,37,38)
InChIKeyBHJFBXISGWULJH-UHFFFAOYSA-N
MW1892.45 g/mol
LogP18.83
Rot. Bonds33

About 5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 157349545) has the molecular formula C101H126N20O11S3 and a molecular weight of 1892.45 g/mol. Its IUPAC name is 5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID157349545
Molecular FormulaC101H126N20O11S3
Molecular Weight1892.45 g/mol
Exact Mass1890.91
IUPAC Name5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(N2CCNCC2)nc1.Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(N2CCOCC2)nc1.Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(NCCN2CCOCC2)nc1
InChIInChI=1S/C35H45N7O4S.C33H41N7O3S.C33H40N6O4S/c1-23(2)46-31-19-25(5)28(27-11-12-33(37-22-27)36-13-14-42-15-17-45-18-16-42)20-30(31)40-35-38-21-26(6)34(41-35)39-29-9-7-8-10-32(29)47(43,44)24(3)4;1-21(2)43-29-17-23(5)26(25-11-12-31(35-20-25)40-15-13-34-14-16-40)18-28(29)38-33-36-19-24(6)32(39-33)37-27-9-7-8-10-30(27)44(41,42)22(3)4;1-21(2)43-29-17-23(5)26(25-11-12-31(34-20-25)39-13-15-42-16-14-39)18-28(29)37-33-35-19-24(6)32(38-33)36-27-9-7-8-10-30(27)44(40,41)22(3)4/h7-12,19-24H,13-18H2,1-6H3,(H,36,37)(H2,38,39,40,41);7-12,17-22,34H,13-16H2,1-6H3,(H2,36,37,38,39);7-12,17-22H,13-16H2,1-6H3,(H2,35,36,37,38)
InChIKeyBHJFBXISGWULJH-UHFFFAOYSA-N
XLogP18.83
TPSA370.54 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.45
LogP ≤ 518.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 157349545) is 5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(N2CCNCC2)nc1.Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(N2CCOCC2)nc1.Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(NCCN2CCOCC2)nc1.
What is the InChIKey of 5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is BHJFBXISGWULJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N7O4S.C33H41N7O3S.C33H40N6O4S/c1-23(2)46-31-19-25(5)28(27-11-12-33(37-22-27)36-13-14-42-15-17-45-18-16-42)20-30(31)40-35-38-21-26(6)34(41-35)39-29-9-7-8-10-32(29)47(43,44)24(3)4;1-21(2)43-29-17-23(5)26(25-11-12-31(35-20-25)40-15-13-34-14-16-40)18-28(29)38-33-36-19-24(6)32(39-33)37-27-9-7-8-10-30(27)44(41,42)22(3)4;1-21(2)43-29-17-23(5)26(25-11-12-31(34-20-25)39-13-15-42-16-14-39)18-28(29)37-33-35-19-24(6)32(38-33)36-27-9-7-8-10-30(27)44(40,41)22(3)4/h7-12,19-24H,13-18H2,1-6H3,(H,36,37)(H2,38,39,40,41);7-12,17-22,34H,13-16H2,1-6H3,(H2,36,37,38,39);7-12,17-22H,13-16H2,1-6H3,(H2,35,36,37,38).
What are the key properties of 5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 1892.45 g/mol, XLogP of 18.83, 33 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 157349545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).