4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H17F3N4 — CID 114564036

IUPAC4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCC2CCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)9-6-10(19-11(16)18-9)17-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H3,16,17,18,19)
InChIKeyHNQVXWVRYFCANK-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.07
Rot. Bonds3

About 4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564036) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564036
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCC2CCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)9-6-10(19-11(16)18-9)17-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H3,16,17,18,19)
InChIKeyHNQVXWVRYFCANK-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565829
2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562240
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
2-N,4-N-bis(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133334171
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 171993956
N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565117
N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566995
2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746494
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564072
2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23290172
6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106434004

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564036) is 4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is Nc1nc(NCC2CCCCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is HNQVXWVRYFCANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c13-12(14,15)9-6-10(19-11(16)18-9)17-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H3,16,17,18,19).
What are the key properties of 4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 274.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).