4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine

C17H20F2N4 — CID 112869121

IUPAC4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(F)cc2F)cc(NC2CCCCC2)n1
InChIInChI=1S/C17H20F2N4/c1-11-20-16(22-13-5-3-2-4-6-13)10-17(21-11)23-15-8-7-12(18)9-14(15)19/h7-10,13H,2-6H2,1H3,(H2,20,21,22,23)
InChIKeyXHDGMAMDOMBDOD-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.55
Rot. Bonds4

About 4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine

4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112869121) has the molecular formula C17H20F2N4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112869121
Molecular FormulaC17H20F2N4
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(F)cc2F)cc(NC2CCCCC2)n1
InChIInChI=1S/C17H20F2N4/c1-11-20-16(22-13-5-3-2-4-6-13)10-17(21-11)23-15-8-7-12(18)9-14(15)19/h7-10,13H,2-6H2,1H3,(H2,20,21,22,23)
InChIKeyXHDGMAMDOMBDOD-UHFFFAOYSA-N
XLogP4.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068
4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112855977
6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869075
4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868750
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868570
N-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2,5-difluorobenzenesulfonamide
CID 50753160
4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112869053
4-N-(2,4-difluorophenyl)-2-methyl-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112878913
6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112876038
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869079
4-N-cyclohexyl-6-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112869059
4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868692

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112869121) is 4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2ccc(F)cc2F)cc(NC2CCCCC2)n1.
What is the InChIKey of 4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is XHDGMAMDOMBDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4/c1-11-20-16(22-13-5-3-2-4-6-13)10-17(21-11)23-15-8-7-12(18)9-14(15)19/h7-10,13H,2-6H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine?
4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 318.37 g/mol, XLogP of 4.55, 4 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-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112869121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).