6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine

C14H13N5 — CID 5328264

IUPAC6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1cc2c(Nc3ccccc3)ncnc2cn1
InChIInChI=1S/C14H13N5/c1-15-13-7-11-12(8-16-13)17-9-18-14(11)19-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16)(H,17,18,19)
InChIKeyVUQQZAQCQFIXAH-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.81
Rot. Bonds3

About 6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine

6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 5328264) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID5328264
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1cc2c(Nc3ccccc3)ncnc2cn1
InChIInChI=1S/C14H13N5/c1-15-13-7-11-12(8-16-13)17-9-18-14(11)19-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16)(H,17,18,19)
InChIKeyVUQQZAQCQFIXAH-UHFFFAOYSA-N
XLogP2.81
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Imiquimod
CID 57469
Spautin-1
CID 51037431
Pd 158780
CID 4707
CR-4056
CID 24898732
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
SD-208
CID 10316032
Sri-9439
CID 446752

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine (CID 5328264) is 6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine is CNc1cc2c(Nc3ccccc3)ncnc2cn1.
What is the InChIKey of 6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is VUQQZAQCQFIXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-15-13-7-11-12(8-16-13)17-9-18-14(11)19-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16)(H,17,18,19).
What are the key properties of 6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine?
6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 251.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).