(2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine

C22H22N6 — CID 118224805

IUPAC(2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCN[C@@H](C)C(Nc1nc(-c2ccncc2)nc2cnccc12)c1ccccc1
InChIInChI=1S/C22H22N6/c1-15(23-2)20(16-6-4-3-5-7-16)27-22-18-10-13-25-14-19(18)26-21(28-22)17-8-11-24-12-9-17/h3-15,20,23H,1-2H3,(H,26,27,28)/t15-,20?/m0/s1
InChIKeyQKNDTIKCGUGLOF-OOJLDXBWSA-N
MW370.46 g/mol
LogP3.85
Rot. Bonds6

About (2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine

(2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (PubChem CID 118224805) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is (2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
PubChem CID118224805
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name(2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCN[C@@H](C)C(Nc1nc(-c2ccncc2)nc2cnccc12)c1ccccc1
InChIInChI=1S/C22H22N6/c1-15(23-2)20(16-6-4-3-5-7-16)27-22-18-10-13-25-14-19(18)26-21(28-22)17-8-11-24-12-9-17/h3-15,20,23H,1-2H3,(H,26,27,28)/t15-,20?/m0/s1
InChIKeyQKNDTIKCGUGLOF-OOJLDXBWSA-N
XLogP3.85
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 118271556
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 172774618
2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 11771006
2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine
CID 152578272
N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine
CID 55941683
N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine
CID 59389582
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 172812602
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648
N-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368629
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine
CID 133276695

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of (2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (CID 118224805) is (2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is CN[C@@H](C)C(Nc1nc(-c2ccncc2)nc2cnccc12)c1ccccc1.
What is the InChIKey of (2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is QKNDTIKCGUGLOF-OOJLDXBWSA-N. The full InChI is InChI=1S/C22H22N6/c1-15(23-2)20(16-6-4-3-5-7-16)27-22-18-10-13-25-14-19(18)26-21(28-22)17-8-11-24-12-9-17/h3-15,20,23H,1-2H3,(H,26,27,28)/t15-,20?/m0/s1.
What are the key properties of (2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
(2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 370.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 118224805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).