4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine

C14H20F3N3 — CID 123277786

IUPAC4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H20F3N3/c1-9-7-10(2)20-13(19-9)18-8-11-3-5-12(6-4-11)14(15,16)17/h7,11-12H,3-6,8H2,1-2H3,(H,18,19,20)
InChIKeyDOJFHITVICADHX-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.87
Rot. Bonds3

About 4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine

4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine (PubChem CID 123277786) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine
PubChem CID123277786
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H20F3N3/c1-9-7-10(2)20-13(19-9)18-8-11-3-5-12(6-4-11)14(15,16)17/h7,11-12H,3-6,8H2,1-2H3,(H,18,19,20)
InChIKeyDOJFHITVICADHX-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-4-ethyl-6-methylpyrimidin-2-amine
CID 131153777
4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 60856650
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620
2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 138041041
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
2-N,4-N-bis(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133334171
2-(cyclopentylmethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546594
4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413883
N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 106127087
tert-butyl (3R)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176279
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
6-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80827768

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine (CID 123277786) is 4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine is Cc1cc(C)nc(NCC2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine?
The InChIKey is DOJFHITVICADHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-9-7-10(2)20-13(19-9)18-8-11-3-5-12(6-4-11)14(15,16)17/h7,11-12H,3-6,8H2,1-2H3,(H,18,19,20).
What are the key properties of 4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine?
4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 123277786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).