5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

C11H12F3N5 — CID 80868493

IUPAC5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H12F3N5/c1-6(2)8-9(15)16-5-17-10(8)19-4-7(3-18-19)11(12,13)14/h3-6H,1-2H3,(H2,15,16,17)
InChIKeyUHPXDWCBGMVQLS-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.39
Rot. Bonds2

About 5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 80868493) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID80868493
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H12F3N5/c1-6(2)8-9(15)16-5-17-10(8)19-4-7(3-18-19)11(12,13)14/h3-6H,1-2H3,(H2,15,16,17)
InChIKeyUHPXDWCBGMVQLS-UHFFFAOYSA-N
XLogP2.39
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 80868493) is 5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is CC(C)c1c(N)ncnc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of 5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is UHPXDWCBGMVQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-6(2)8-9(15)16-5-17-10(8)19-4-7(3-18-19)11(12,13)14/h3-6H,1-2H3,(H2,15,16,17).
What are the key properties of 5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 271.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80868493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).