4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine

C20H17N5 — CID 133407341

IUPAC4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NC(c3ccccc3)c3ccccc3)ncnc2n1
InChIInChI=1S/C20H17N5/c21-17-12-11-16-19(24-17)22-13-23-20(16)25-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H3,21,22,23,24,25)
InChIKeyDNLKPCXXWDNDJH-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.81
Rot. Bonds4

About 4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine

4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133407341) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133407341
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NC(c3ccccc3)c3ccccc3)ncnc2n1
InChIInChI=1S/C20H17N5/c21-17-12-11-16-19(24-17)22-13-23-20(16)25-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H3,21,22,23,24,25)
InChIKeyDNLKPCXXWDNDJH-UHFFFAOYSA-N
XLogP3.81
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407916
N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
CID 133409463
4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 91646510
4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409461
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407209
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
4-N-[2-(1,3-benzothiazol-2-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 86817522
4-N-benzhydryl-6-N-(4-iodophenyl)pyrimidine-4,5,6-triamine
CID 19148896
4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22541010
2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol
CID 133396318
trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133495393

Frequently Asked Questions

What is the IUPAC name of 4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine (CID 133407341) is 4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine is Nc1ccc2c(NC(c3ccccc3)c3ccccc3)ncnc2n1.
What is the InChIKey of 4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is DNLKPCXXWDNDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c21-17-12-11-16-19(24-17)22-13-23-20(16)25-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H3,21,22,23,24,25).
What are the key properties of 4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 327.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133407341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).