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

C14H21F3N4 — CID 114564038

IUPAC4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(NCC2CCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-2-18-13-20-11(14(15,16)17)8-12(21-13)19-9-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H2,18,19,20,21)
InChIKeyIYYRPNRCZFJMQN-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.92
Rot. Bonds5

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

4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564038) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564038
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(NCC2CCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-2-18-13-20-11(14(15,16)17)8-12(21-13)19-9-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H2,18,19,20,21)
InChIKeyIYYRPNRCZFJMQN-UHFFFAOYSA-N
XLogP3.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564038) is 4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(NCC2CCCCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is IYYRPNRCZFJMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-2-18-13-20-11(14(15,16)17)8-12(21-13)19-9-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).