4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

C11H12FN5 — CID 80857928

IUPAC4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C11H12FN5/c1-13-11-14-6-8(12)10(15-11)17-5-4-9(16-17)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyXZNVTJFRWGFIBE-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.72
Rot. Bonds3

About 4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80857928) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80857928
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C11H12FN5/c1-13-11-14-6-8(12)10(15-11)17-5-4-9(16-17)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyXZNVTJFRWGFIBE-UHFFFAOYSA-N
XLogP1.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine
CID 80867881
4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331118
4-(3-cyclopropylpyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80857494
6-(3-cyclopropylpyrazol-1-yl)-N-methylpyrazin-2-amine
CID 80868478
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 113419468
4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 103542049
4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80840951
8-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846696
[5-fluoro-4-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80902367
[2-(3-cyclopropylpyrazol-1-yl)-5-fluoro-3-pyridinyl]methanamine
CID 114035497
3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine
CID 114837471

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (CID 80857928) is 4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(-n2ccc(C3CC3)n2)n1.
What is the InChIKey of 4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is XZNVTJFRWGFIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c1-13-11-14-6-8(12)10(15-11)17-5-4-9(16-17)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 233.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80857928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).