4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine

C18H23FN4 — CID 112856213

IUPAC4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESFc1ccccc1CCNc1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C18H23FN4/c19-16-9-5-4-6-14(16)10-11-20-17-12-18(22-13-21-17)23-15-7-2-1-3-8-15/h4-6,9,12-13,15H,1-3,7-8,10-11H2,(H2,20,21,22,23)
InChIKeyZAQVUZOAFCFLBN-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.01
Rot. Bonds6

About 4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine

4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 112856213) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID112856213
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESFc1ccccc1CCNc1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C18H23FN4/c19-16-9-5-4-6-14(16)10-11-20-17-12-18(22-13-21-17)23-15-7-2-1-3-8-15/h4-6,9,12-13,15H,1-3,7-8,10-11H2,(H2,20,21,22,23)
InChIKeyZAQVUZOAFCFLBN-UHFFFAOYSA-N
XLogP4.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861063
4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112855896
4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861294
4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine
CID 112863930
4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112854725
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
4-N-(4-bromophenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861329
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112856250
6-N-[2-(2-fluorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858566
4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112856201
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
4-N-(2,5-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861313

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine (CID 112856213) is 4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine is Fc1ccccc1CCNc1cc(NC2CCCCC2)ncn1.
What is the InChIKey of 4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is ZAQVUZOAFCFLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c19-16-9-5-4-6-14(16)10-11-20-17-12-18(22-13-21-17)23-15-7-2-1-3-8-15/h4-6,9,12-13,15H,1-3,7-8,10-11H2,(H2,20,21,22,23).
What are the key properties of 4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 314.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112856213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).