4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine

C18H23FN4 — CID 123885883

IUPAC4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
SMILESCCc1c(F)cccc1-c1cc(NC2CCC(N)CC2)ncn1
InChIInChI=1S/C18H23FN4/c1-2-14-15(4-3-5-16(14)19)17-10-18(22-11-21-17)23-13-8-6-12(20)7-9-13/h3-5,10-13H,2,6-9,20H2,1H3,(H,21,22,23)
InChIKeyZWFNEHWNHXCKMK-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.53
Rot. Bonds4

About 4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine

4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine (PubChem CID 123885883) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
PubChem CID123885883
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
SMILESCCc1c(F)cccc1-c1cc(NC2CCC(N)CC2)ncn1
InChIInChI=1S/C18H23FN4/c1-2-14-15(4-3-5-16(14)19)17-10-18(22-11-21-17)23-13-8-6-12(20)7-9-13/h3-5,10-13H,2,6-9,20H2,1H3,(H,21,22,23)
InChIKeyZWFNEHWNHXCKMK-UHFFFAOYSA-N
XLogP3.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 82483168
4-N-[4-[2-ethyl-3-[(3-fluorophenyl)methylamino]-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 123884019
4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine
CID 112863930
N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine
CID 82486363
4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112856213
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502956
N-cyclopropyl-5-(2-fluorophenyl)-1H-pyrazol-3-amine
CID 63049345
N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
CID 80897461
4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 67691259
4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 112854775

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine (CID 123885883) is 4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine is CCc1c(F)cccc1-c1cc(NC2CCC(N)CC2)ncn1.
What is the InChIKey of 4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is ZWFNEHWNHXCKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-2-14-15(4-3-5-16(14)19)17-10-18(22-11-21-17)23-13-8-6-12(20)7-9-13/h3-5,10-13H,2,6-9,20H2,1H3,(H,21,22,23).
What are the key properties of 4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine?
4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 314.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 123885883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).