4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine

C14H13N5 — CID 5328375

IUPAC4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(N)cc23)c1
InChIInChI=1S/C14H13N5/c1-9-3-2-4-10(5-9)19-14-11-6-13(15)16-7-12(11)17-8-18-14/h2-8H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyVNRZOOJIGRYVTF-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.66
Rot. Bonds2

About 4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine

4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 5328375) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID5328375
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(N)cc23)c1
InChIInChI=1S/C14H13N5/c1-9-3-2-4-10(5-9)19-14-11-6-13(15)16-7-12(11)17-8-18-14/h2-8H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyVNRZOOJIGRYVTF-UHFFFAOYSA-N
XLogP2.66
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 5328375) is 4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine is Cc1cccc(Nc2ncnc3cnc(N)cc23)c1.
What is the InChIKey of 4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is VNRZOOJIGRYVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-9-3-2-4-10(5-9)19-14-11-6-13(15)16-7-12(11)17-8-18-14/h2-8H,1H3,(H2,15,16)(H,17,18,19).
What are the key properties of 4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 251.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).