2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol

C33H42N8O3 — CID 146293388

IUPAC2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCCC(C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(-c3cnc(C4=CCN(C)CC4)nc3)cnc12
InChIInChI=1S/C33H42N8O3/c1-6-7-12-33(2,21-42)40-31-29-27(38-32(39-31)37-17-23-8-9-26(43-4)16-28(23)44-5)15-24(18-34-29)25-19-35-30(36-20-25)22-10-13-41(3)14-11-22/h8-10,15-16,18-20,42H,6-7,11-14,17,21H2,1-5H3,(H2,37,38,39,40)
InChIKeyJXGHROIJWSRDAY-UHFFFAOYSA-N
MW598.75 g/mol
LogP5.18
Rot. Bonds13

About 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol

2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol (PubChem CID 146293388) has the molecular formula C33H42N8O3 and a molecular weight of 598.75 g/mol. Its IUPAC name is 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
PubChem CID146293388
Molecular FormulaC33H42N8O3
Molecular Weight598.75 g/mol
Exact Mass598.34
IUPAC Name2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCCC(C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(-c3cnc(C4=CCN(C)CC4)nc3)cnc12
InChIInChI=1S/C33H42N8O3/c1-6-7-12-33(2,21-42)40-31-29-27(38-32(39-31)37-17-23-8-9-26(43-4)16-28(23)44-5)15-24(18-34-29)25-19-35-30(36-20-25)22-10-13-41(3)14-11-22/h8-10,15-16,18-20,42H,6-7,11-14,17,21H2,1-5H3,(H2,37,38,39,40)
InChIKeyJXGHROIJWSRDAY-UHFFFAOYSA-N
XLogP5.18
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol
CID 175935294
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-(1-methylpyrrole-2-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 167632181
5-[[but-3-enyl(methyl)amino]methyl]-4-[2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one
CID 169098873
2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol
CID 175339483
[2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(2R)-2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]boronic acid
CID 174057147
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-propan-2-ylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 162257149
tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-4-methyloctanoate
CID 163945113
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 158486047
4-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidine-2,4-diamine
CID 175885835
(5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid
CID 167614323
(4R)-4-butyl-2-(3,5-difluoro-2-pyridinyl)-4-methyl-5H-1,3-oxazole;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 167611552
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide
CID 134305708

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol?
The IUPAC name of 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol (CID 146293388) is 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol.
What is the SMILES notation for 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol?
The canonical SMILES for 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol is CCCCC(C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(-c3cnc(C4=CCN(C)CC4)nc3)cnc12.
What is the InChIKey of 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol?
The InChIKey is JXGHROIJWSRDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N8O3/c1-6-7-12-33(2,21-42)40-31-29-27(38-32(39-31)37-17-23-8-9-26(43-4)16-28(23)44-5)15-24(18-34-29)25-19-35-30(36-20-25)22-10-13-41(3)14-11-22/h8-10,15-16,18-20,42H,6-7,11-14,17,21H2,1-5H3,(H2,37,38,39,40).
What are the key properties of 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol?
2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol has a molecular weight of 598.75 g/mol, XLogP of 5.18, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol is sourced from PubChem (CID 146293388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).