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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Related Compounds

Triamterene
CID 5546
Imiquimod
CID 57469
Spautin-1
CID 51037431
4-Anilinoquinazoline
CID 324081
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
4-Anilino quinazoline deriv. 18
CID 5328017
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
6,7-Diphenylpteridine-2,4-diamine
CID 223355

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).