4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine

C10H14F3N3 — CID 82390111

IUPAC4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine
SMILESCC(C)CCc1nc(C(F)(F)F)ncc1N
InChIInChI=1S/C10H14F3N3/c1-6(2)3-4-8-7(14)5-15-9(16-8)10(11,12)13/h5-6H,3-4,14H2,1-2H3
InChIKeyFKPOSIHJKXKVRP-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.67
Rot. Bonds3

About 4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine

4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 82390111) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine
PubChem CID82390111
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine
SMILESCC(C)CCc1nc(C(F)(F)F)ncc1N
InChIInChI=1S/C10H14F3N3/c1-6(2)3-4-8-7(14)5-15-9(16-8)10(11,12)13/h5-6H,3-4,14H2,1-2H3
InChIKeyFKPOSIHJKXKVRP-UHFFFAOYSA-N
XLogP2.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine (CID 82390111) is 4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine is CC(C)CCc1nc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is FKPOSIHJKXKVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-6(2)3-4-8-7(14)5-15-9(16-8)10(11,12)13/h5-6H,3-4,14H2,1-2H3.
What are the key properties of 4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine?
4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 233.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 82390111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).