4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C13H12FN7 — CID 151424564

IUPAC4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2nccc(-c3cnc(N)c(F)c3)n2)cn1
InChIInChI=1S/C13H12FN7/c1-21-7-9(6-18-21)19-13-16-3-2-11(20-13)8-4-10(14)12(15)17-5-8/h2-7H,1H3,(H2,15,17)(H,16,19,20)
InChIKeyPBGFFYHLZPQWKD-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.74
Rot. Bonds3

About 4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 151424564) has the molecular formula C13H12FN7 and a molecular weight of 285.29 g/mol. Its IUPAC name is 4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID151424564
Molecular FormulaC13H12FN7
Molecular Weight285.29 g/mol
Exact Mass285.11
IUPAC Name4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2nccc(-c3cnc(N)c(F)c3)n2)cn1
InChIInChI=1S/C13H12FN7/c1-21-7-9(6-18-21)19-13-16-3-2-11(20-13)8-4-10(14)12(15)17-5-8/h2-7H,1H3,(H2,15,17)(H,16,19,20)
InChIKeyPBGFFYHLZPQWKD-UHFFFAOYSA-N
XLogP1.74
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 151424564) is 4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is Cn1cc(Nc2nccc(-c3cnc(N)c(F)c3)n2)cn1.
What is the InChIKey of 4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is PBGFFYHLZPQWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN7/c1-21-7-9(6-18-21)19-13-16-3-2-11(20-13)8-4-10(14)12(15)17-5-8/h2-7H,1H3,(H2,15,17)(H,16,19,20).
What are the key properties of 4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 285.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 151424564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).