1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide

C11H13FN6O — CID 80868918

IUPAC1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCCCNc1ncc(F)c(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C11H13FN6O/c1-2-3-14-11-15-5-8(12)10(17-11)18-6-7(4-16-18)9(13)19/h4-6H,2-3H2,1H3,(H2,13,19)(H,14,15,17)
InChIKeyWSPQRNIAIMDEQY-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.72
Rot. Bonds5

About 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide

1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide (PubChem CID 80868918) has the molecular formula C11H13FN6O and a molecular weight of 264.26 g/mol. Its IUPAC name is 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
PubChem CID80868918
Molecular FormulaC11H13FN6O
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCCCNc1ncc(F)c(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C11H13FN6O/c1-2-3-14-11-15-5-8(12)10(17-11)18-6-7(4-16-18)9(13)19/h4-6H,2-3H2,1H3,(H2,13,19)(H,14,15,17)
InChIKeyWSPQRNIAIMDEQY-UHFFFAOYSA-N
XLogP0.72
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide (CID 80868918) is 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide is CCCNc1ncc(F)c(-n2cc(C(N)=O)cn2)n1.
What is the InChIKey of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is WSPQRNIAIMDEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6O/c1-2-3-14-11-15-5-8(12)10(17-11)18-6-7(4-16-18)9(13)19/h4-6H,2-3H2,1H3,(H2,13,19)(H,14,15,17).
What are the key properties of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide?
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 264.26 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 80868918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).