6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine

C14H11FN4 — CID 90054705

IUPAC6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C14H11FN4/c1-8-4-9(6-10(15)5-8)11-2-3-12-13(19-11)14(16)18-7-17-12/h2-7H,1H3,(H2,16,17,18)
InChIKeyORSVQRMUQANDKI-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.72
Rot. Bonds1

About 6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine

6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 90054705) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID90054705
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC Name6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C14H11FN4/c1-8-4-9(6-10(15)5-8)11-2-3-12-13(19-11)14(16)18-7-17-12/h2-7H,1H3,(H2,16,17,18)
InChIKeyORSVQRMUQANDKI-UHFFFAOYSA-N
XLogP2.72
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine (CID 90054705) is 6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine is Cc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1.
What is the InChIKey of 6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is ORSVQRMUQANDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c1-8-4-9(6-10(15)5-8)11-2-3-12-13(19-11)14(16)18-7-17-12/h2-7H,1H3,(H2,16,17,18).
What are the key properties of 6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 254.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90054705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).