6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H13ClF3N3 — CID 106767719

IUPAC6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CC1CCC1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13ClF3N3/c1-18(6-7-3-2-4-7)9-5-8(12)16-10(17-9)11(13,14)15/h5,7H,2-4,6H2,1H3
InChIKeySMLYPOQOJJXBRG-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.39
Rot. Bonds3

About 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767719) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767719
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CC1CCC1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13ClF3N3/c1-18(6-7-3-2-4-7)9-5-8(12)16-10(17-9)11(13,14)15/h5,7H,2-4,6H2,1H3
InChIKeySMLYPOQOJJXBRG-UHFFFAOYSA-N
XLogP3.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767719) is 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CN(CC1CCC1)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SMLYPOQOJJXBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c1-18(6-7-3-2-4-7)9-5-8(12)16-10(17-9)11(13,14)15/h5,7H,2-4,6H2,1H3.
What are the key properties of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 279.69 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).