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

C12H17F3N4 — CID 106770552

IUPAC4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC1CCC(Nc2cc(N)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4/c1-7-2-4-8(5-3-7)17-10-6-9(16)18-11(19-10)12(13,14)15/h6-8H,2-5H2,1H3,(H3,16,17,18,19)
InChIKeyPCBVICSZXILSDY-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.07
Rot. Bonds2

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

4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770552) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770552
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC1CCC(Nc2cc(N)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4/c1-7-2-4-8(5-3-7)17-10-6-9(16)18-11(19-10)12(13,14)15/h6-8H,2-5H2,1H3,(H3,16,17,18,19)
InChIKeyPCBVICSZXILSDY-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771197
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione
CID 106772364
4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772242
[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368301
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771739
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616
4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 114541902
6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773169
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 106770397
4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769922
6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717481
4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771303

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770552) is 4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CC1CCC(Nc2cc(N)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is PCBVICSZXILSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-7-2-4-8(5-3-7)17-10-6-9(16)18-11(19-10)12(13,14)15/h6-8H,2-5H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 274.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).