4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine

C8H10F3N3 — CID 131424352

IUPAC4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine
SMILESCC(C)c1nc(C(F)(F)F)ncc1N
InChIInChI=1S/C8H10F3N3/c1-4(2)6-5(12)3-13-7(14-6)8(9,10)11/h3-4H,12H2,1-2H3
InChIKeyJKPIWMWPWVVLSS-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.20
Rot. Bonds1

About 4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine

4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 131424352) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine
PubChem CID131424352
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine
SMILESCC(C)c1nc(C(F)(F)F)ncc1N
InChIInChI=1S/C8H10F3N3/c1-4(2)6-5(12)3-13-7(14-6)8(9,10)11/h3-4H,12H2,1-2H3
InChIKeyJKPIWMWPWVVLSS-UHFFFAOYSA-N
XLogP2.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine (CID 131424352) is 4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine is CC(C)c1nc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is JKPIWMWPWVVLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-4(2)6-5(12)3-13-7(14-6)8(9,10)11/h3-4H,12H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine?
4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 205.18 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 131424352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).