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

C10H11ClF3N3 — CID 114562925

IUPAC2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1cc(C(F)(F)F)nc(Cl)n1)C1CCC1
InChIInChI=1S/C10H11ClF3N3/c1-17(6-3-2-4-6)8-5-7(10(12,13)14)15-9(11)16-8/h5-6H,2-4H2,1H3
InChIKeyRHGAHPYXUBXJJT-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.14
Rot. Bonds2

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

2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562925) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562925
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1cc(C(F)(F)F)nc(Cl)n1)C1CCC1
InChIInChI=1S/C10H11ClF3N3/c1-17(6-3-2-4-6)8-5-7(10(12,13)14)15-9(11)16-8/h5-6H,2-4H2,1H3
InChIKeyRHGAHPYXUBXJJT-UHFFFAOYSA-N
XLogP3.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562345
2,6-dichloro-N-cyclopentyl-N-methylpyrimidin-4-amine
CID 130569686
N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566983
4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565958
2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562632
2-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562605
2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562672
1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114951014
2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 166460267
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 114562722
2-N,4-N-dimethyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564203
2-chloro-4-cyclopentyloxy-6-(trifluoromethyl)pyrimidine
CID 114561964

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562925) is 2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is CN(c1cc(C(F)(F)F)nc(Cl)n1)C1CCC1.
What is the InChIKey of 2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RHGAHPYXUBXJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c1-17(6-3-2-4-6)8-5-7(10(12,13)14)15-9(11)16-8/h5-6H,2-4H2,1H3.
What are the key properties of 2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 265.67 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).