[2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine

C10H12FN5 — CID 70967709

IUPAC[2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine
SMILESCc1c(F)c(-c2nccc(CN)n2)nn1C
InChIInChI=1S/C10H12FN5/c1-6-8(11)9(15-16(6)2)10-13-4-3-7(5-12)14-10/h3-4H,5,12H2,1-2H3
InChIKeyLHKHPOVRXCOCAR-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.78
Rot. Bonds2

About [2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine

[2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine (PubChem CID 70967709) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is [2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine
PubChem CID70967709
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name[2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine
SMILESCc1c(F)c(-c2nccc(CN)n2)nn1C
InChIInChI=1S/C10H12FN5/c1-6-8(11)9(15-16(6)2)10-13-4-3-7(5-12)14-10/h3-4H,5,12H2,1-2H3
InChIKeyLHKHPOVRXCOCAR-UHFFFAOYSA-N
XLogP0.78
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine (CID 70967709) is [2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine is Cc1c(F)c(-c2nccc(CN)n2)nn1C.
What is the InChIKey of [2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine?
The InChIKey is LHKHPOVRXCOCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-6-8(11)9(15-16(6)2)10-13-4-3-7(5-12)14-10/h3-4H,5,12H2,1-2H3.
What are the key properties of [2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine?
[2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine has a molecular weight of 221.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 70967709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).