2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

C11H10F3N5 — CID 80965712

IUPAC2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESNc1cc(-n2ccc(C(F)(F)F)n2)nc(C2CC2)n1
InChIInChI=1S/C11H10F3N5/c12-11(13,14)7-3-4-19(18-7)9-5-8(15)16-10(17-9)6-1-2-6/h3-6H,1-2H2,(H2,15,16,17)
InChIKeyRNOSRCXHELCZGA-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.14
Rot. Bonds2

About 2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 80965712) has the molecular formula C11H10F3N5 and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID80965712
Molecular FormulaC11H10F3N5
Molecular Weight269.23 g/mol
Exact Mass269.09
IUPAC Name2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESNc1cc(-n2ccc(C(F)(F)F)n2)nc(C2CC2)n1
InChIInChI=1S/C11H10F3N5/c12-11(13,14)7-3-4-19(18-7)9-5-8(15)16-10(17-9)6-1-2-6/h3-6H,1-2H2,(H2,15,16,17)
InChIKeyRNOSRCXHELCZGA-UHFFFAOYSA-N
XLogP2.14
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 117817536
2-Methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1480446
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 72945318
5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazole-3-carbonitrile
CID 72191825
2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 117817560
6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 117817582
US9932325, Example 133
CID 132244705
5-Methylpyrazolo(1,5-a)pyrimidin-7-amine
CID 24844388
3-methyl-1-(pyrimidin-2-yl)-1H-pyrazol-5-amine
CID 43420019
N~4~,6-dimethyl-N~4~-[3-(1H-pyrazol-1-yl)propyl]-2,4-pyrimidinediamine
CID 39782655

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 80965712) is 2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is Nc1cc(-n2ccc(C(F)(F)F)n2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is RNOSRCXHELCZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5/c12-11(13,14)7-3-4-19(18-7)9-5-8(15)16-10(17-9)6-1-2-6/h3-6H,1-2H2,(H2,15,16,17).
What are the key properties of 2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 269.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80965712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).