5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine

C11H11F4N5 — CID 80857272

IUPAC5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H11F4N5/c1-2-4-16-10-17-6-7(12)9(18-10)20-5-3-8(19-20)11(13,14)15/h3,5-6H,2,4H2,1H3,(H,16,17,18)
InChIKeyQRPXAXCHKJPVQY-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.64
Rot. Bonds4

About 5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine

5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 80857272) has the molecular formula C11H11F4N5 and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID80857272
Molecular FormulaC11H11F4N5
Molecular Weight289.24 g/mol
Exact Mass289.10
IUPAC Name5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H11F4N5/c1-2-4-16-10-17-6-7(12)9(18-10)20-5-3-8(19-20)11(13,14)15/h3,5-6H,2,4H2,1H3,(H,16,17,18)
InChIKeyQRPXAXCHKJPVQY-UHFFFAOYSA-N
XLogP2.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80899957
2-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80840288
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80764245
4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 82699570
2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80938482
4-(3-cyclopropylpyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80857494
5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80836408
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 115563063
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
4-(2,3-dimethylpiperidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80822054
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
CID 80856544

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (CID 80857272) is 5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is CCCNc1ncc(F)c(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is QRPXAXCHKJPVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N5/c1-2-4-16-10-17-6-7(12)9(18-10)20-5-3-8(19-20)11(13,14)15/h3,5-6H,2,4H2,1H3,(H,16,17,18).
What are the key properties of 5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine has a molecular weight of 289.24 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80857272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).