4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine

C15H16N6 — CID 5328066

IUPAC4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCN(C)c1ccccc1Nc1ncnc2cc(N)ncc12
InChIInChI=1S/C15H16N6/c1-21(2)13-6-4-3-5-11(13)20-15-10-8-17-14(16)7-12(10)18-9-19-15/h3-9H,1-2H3,(H2,16,17)(H,18,19,20)
InChIKeyJWIBIIOOQVPSQE-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.42
Rot. Bonds3

About 4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine

4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328066) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328066
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCN(C)c1ccccc1Nc1ncnc2cc(N)ncc12
InChIInChI=1S/C15H16N6/c1-21(2)13-6-4-3-5-11(13)20-15-10-8-17-14(16)7-12(10)18-9-19-15/h3-9H,1-2H3,(H2,16,17)(H,18,19,20)
InChIKeyJWIBIIOOQVPSQE-UHFFFAOYSA-N
XLogP2.42
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine
CID 106761045
4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328077
1-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761113
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
CID 107643406
2-N-quinazolin-4-ylbenzene-1,2-diamine
CID 21190751
4-N-(2-fluorophenyl)quinazoline-4,6-diamine
CID 11379777
3-[(6-aminoquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide
CID 52932687
1-N-[2-(dimethylamino)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 106759464
2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine
CID 106890898
4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine
CID 65337053
2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine
CID 159596198

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328066) is 4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine is CN(C)c1ccccc1Nc1ncnc2cc(N)ncc12.
What is the InChIKey of 4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is JWIBIIOOQVPSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-21(2)13-6-4-3-5-11(13)20-15-10-8-17-14(16)7-12(10)18-9-19-15/h3-9H,1-2H3,(H2,16,17)(H,18,19,20).
What are the key properties of 4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 280.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).