4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile

C20H22N6O — CID 135368468

IUPAC4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile
SMILESCC(C)(O)CC(C)(C)Nc1nc(-c2ccncc2C#N)nc2cnccc12
InChIInChI=1S/C20H22N6O/c1-19(2,12-20(3,4)27)26-18-15-6-8-23-11-16(15)24-17(25-18)14-5-7-22-10-13(14)9-21/h5-8,10-11,27H,12H2,1-4H3,(H,24,25,26)
InChIKeyBSHBIZYJZUBBQI-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.31
Rot. Bonds5

About 4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile

4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile (PubChem CID 135368468) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile
PubChem CID135368468
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile
SMILESCC(C)(O)CC(C)(C)Nc1nc(-c2ccncc2C#N)nc2cnccc12
InChIInChI=1S/C20H22N6O/c1-19(2,12-20(3,4)27)26-18-15-6-8-23-11-16(15)24-17(25-18)14-5-7-22-10-13(14)9-21/h5-8,10-11,27H,12H2,1-4H3,(H,24,25,26)
InChIKeyBSHBIZYJZUBBQI-UHFFFAOYSA-N
XLogP3.31
TPSA107.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile 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-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 135368371
2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol
CID 135368578
N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 135390680
N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368753
2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid
CID 135368674
3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 137350738
(2S)-3,3,3-trifluoro-2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 135368368
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 172774618
N-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368629
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine
CID 11955437
2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 135368085
2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine
CID 152578272

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile (CID 135368468) is 4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile is CC(C)(O)CC(C)(C)Nc1nc(-c2ccncc2C#N)nc2cnccc12.
What is the InChIKey of 4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile?
The InChIKey is BSHBIZYJZUBBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-19(2,12-20(3,4)27)26-18-15-6-8-23-11-16(15)24-17(25-18)14-5-7-22-10-13(14)9-21/h5-8,10-11,27H,12H2,1-4H3,(H,24,25,26).
What are the key properties of 4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile?
4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile has a molecular weight of 362.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 135368468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).