4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine

C10H12F3N3 — CID 82390720

IUPAC4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine
SMILESNc1cnc(C(F)(F)F)nc1CCC1CC1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-15-5-7(14)8(16-9)4-3-6-1-2-6/h5-6H,1-4,14H2
InChIKeyMYBQLOWBAGNFIF-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.42
Rot. Bonds3

About 4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine

4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 82390720) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine
PubChem CID82390720
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine
SMILESNc1cnc(C(F)(F)F)nc1CCC1CC1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-15-5-7(14)8(16-9)4-3-6-1-2-6/h5-6H,1-4,14H2
InChIKeyMYBQLOWBAGNFIF-UHFFFAOYSA-N
XLogP2.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine (CID 82390720) is 4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine is Nc1cnc(C(F)(F)F)nc1CCC1CC1.
What is the InChIKey of 4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is MYBQLOWBAGNFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)9-15-5-7(14)8(16-9)4-3-6-1-2-6/h5-6H,1-4,14H2.
What are the key properties of 4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine?
4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 231.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 82390720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).