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

C13H19F3N4 — CID 106771197

IUPAC4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCC1CCC(Nc2cc(N)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4/c1-2-8-3-5-9(6-4-8)18-11-7-10(17)19-12(20-11)13(14,15)16/h7-9H,2-6H2,1H3,(H3,17,18,19,20)
InChIKeyDMKCAQCCUNLMAW-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.46
Rot. Bonds3

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

4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771197) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771197
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCC1CCC(Nc2cc(N)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4/c1-2-8-3-5-9(6-4-8)18-11-7-10(17)19-12(20-11)13(14,15)16/h7-9H,2-6H2,1H3,(H3,17,18,19,20)
InChIKeyDMKCAQCCUNLMAW-UHFFFAOYSA-N
XLogP3.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770552
4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961252
6-N-(4-ethylcyclohexyl)pyridine-2,6-diamine
CID 80647393
4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80803663
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 106770397
N-(4-ethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 63540704
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771739
[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368301
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616
6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106193711
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione
CID 106772364
N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455763

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771197) is 4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCC1CCC(Nc2cc(N)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is DMKCAQCCUNLMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-2-8-3-5-9(6-4-8)18-11-7-10(17)19-12(20-11)13(14,15)16/h7-9H,2-6H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 288.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).