6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine

C16H17N5 — CID 163213205

IUPAC6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine
SMILESCC(C)Nc1cc(-c2ccccc2)nc2c(N)ncnc12
InChIInChI=1S/C16H17N5/c1-10(2)20-13-8-12(11-6-4-3-5-7-11)21-15-14(13)18-9-19-16(15)17/h3-10H,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyFZFKYGGRGPPNQK-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.09
Rot. Bonds3

About 6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine

6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine (PubChem CID 163213205) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine.

Molecular Properties

Compound Name6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine
PubChem CID163213205
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine
SMILESCC(C)Nc1cc(-c2ccccc2)nc2c(N)ncnc12
InChIInChI=1S/C16H17N5/c1-10(2)20-13-8-12(11-6-4-3-5-7-11)21-15-14(13)18-9-19-16(15)17/h3-10H,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyFZFKYGGRGPPNQK-UHFFFAOYSA-N
XLogP3.09
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-ethynylphenyl)-8-N-methylpyrido[3,2-d]pyrimidine-4,8-diamine
CID 155364434
2-chloro-6-phenyl-N-propan-2-ylpyridin-4-amine
CID 149329432
6-phenylpteridin-4-amine
CID 10513277
2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine
CID 175056011
2-N,6-diphenyl-4-N-propan-2-ylpyridine-2,4-diamine
CID 141497384
3-N-propan-2-ylpyridine-2,3-diamine
CID 58213244
2-phenyl-6-propan-2-ylpyridin-4-amine
CID 155682169
2-N-(2-methylphenyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932714
(5,7,8-trifluoro-2-phenylquinolin-4-yl)hydrazine
CID 62812421
(6,8-dimethyl-2-phenylquinolin-4-yl)hydrazine
CID 63484238
4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine
CID 71633051
5-(3-bromophenyl)-7-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 54384444

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine?
The IUPAC name of 6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine (CID 163213205) is 6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine.
What is the SMILES notation for 6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine?
The canonical SMILES for 6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine is CC(C)Nc1cc(-c2ccccc2)nc2c(N)ncnc12.
What is the InChIKey of 6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine?
The InChIKey is FZFKYGGRGPPNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-10(2)20-13-8-12(11-6-4-3-5-7-11)21-15-14(13)18-9-19-16(15)17/h3-10H,1-2H3,(H,20,21)(H2,17,18,19).
What are the key properties of 6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine?
6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine has a molecular weight of 279.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-8-N-propan-2-ylpyrido[3,2-d]pyrimidine-4,8-diamine is sourced from PubChem (CID 163213205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).