4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine

C14H13N5O — CID 5328062

IUPAC4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCOc1ccc(Nc2ncnc3cc(N)ncc23)cc1
InChIInChI=1S/C14H13N5O/c1-20-10-4-2-9(3-5-10)19-14-11-7-16-13(15)6-12(11)17-8-18-14/h2-8H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyVVRKAQKHXCWYBU-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.36
Rot. Bonds3

About 4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine

4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328062) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328062
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCOc1ccc(Nc2ncnc3cc(N)ncc23)cc1
InChIInChI=1S/C14H13N5O/c1-20-10-4-2-9(3-5-10)19-14-11-7-16-13(15)6-12(11)17-8-18-14/h2-8H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyVVRKAQKHXCWYBU-UHFFFAOYSA-N
XLogP2.36
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328062) is 4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine is COc1ccc(Nc2ncnc3cc(N)ncc23)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is VVRKAQKHXCWYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-20-10-4-2-9(3-5-10)19-14-11-7-16-13(15)6-12(11)17-8-18-14/h2-8H,1H3,(H2,15,16)(H,17,18,19).
What are the key properties of 4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 267.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).