6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine

C14H12N4O — CID 90055030

IUPAC6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C14H12N4O/c1-19-10-4-2-3-9(7-10)11-5-6-12-13(18-11)14(15)17-8-16-12/h2-8H,1H3,(H2,15,16,17)
InChIKeyCSEJAXWNZYALPE-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.28
Rot. Bonds2

About 6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine

6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 90055030) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID90055030
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C14H12N4O/c1-19-10-4-2-3-9(7-10)11-5-6-12-13(18-11)14(15)17-8-16-12/h2-8H,1H3,(H2,15,16,17)
InChIKeyCSEJAXWNZYALPE-UHFFFAOYSA-N
XLogP2.28
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine (CID 90055030) is 6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine is COc1cccc(-c2ccc3ncnc(N)c3n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is CSEJAXWNZYALPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-19-10-4-2-3-9(7-10)11-5-6-12-13(18-11)14(15)17-8-16-12/h2-8H,1H3,(H2,15,16,17).
What are the key properties of 6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine?
6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 252.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90055030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).