2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H17F3N4 — CID 114566037

IUPAC2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCC(C)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4/c1-7-3-4-8(5-7)17-10-6-9(12(13,14)15)18-11(16-2)19-10/h6-8H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyQCNLFHFETCITOO-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.14
Rot. Bonds3

About 2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114566037) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114566037
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCC(C)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4/c1-7-3-4-8(5-7)17-10-6-9(12(13,14)15)18-11(16-2)19-10/h6-8H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyQCNLFHFETCITOO-UHFFFAOYSA-N
XLogP3.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564031
2-N-methyl-4-N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565796
4-N-(3,5-dimethylcyclohexyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565264
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830
4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564030
4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563890
2-N-methyl-4-N-(thian-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565933
2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80772502
2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine
CID 114542004
4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563838
2-hydrazinyl-N-(2-methylcyclopropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567178
2-N,4-N-bis(thiolan-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 75422707

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114566037) is 2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(NC2CCC(C)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is QCNLFHFETCITOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-7-3-4-8(5-7)17-10-6-9(12(13,14)15)18-11(16-2)19-10/h6-8H,3-5H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 274.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114566037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).