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

C17H21FN4 — CID 112869068

IUPAC4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2F)cc(NC2CCCCC2)n1
InChIInChI=1S/C17H21FN4/c1-12-19-16(21-13-7-3-2-4-8-13)11-17(20-12)22-15-10-6-5-9-14(15)18/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,19,20,21,22)
InChIKeyRLUJMYXGHIMJQF-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.41
Rot. Bonds4

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

4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112869068) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112869068
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2F)cc(NC2CCCCC2)n1
InChIInChI=1S/C17H21FN4/c1-12-19-16(21-13-7-3-2-4-8-13)11-17(20-12)22-15-10-6-5-9-14(15)18/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,19,20,21,22)
InChIKeyRLUJMYXGHIMJQF-UHFFFAOYSA-N
XLogP4.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869121
4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868692
4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761101
6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869075
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867600
4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868750
4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112869053
2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112934451
3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942477
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

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112869068) is 4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2ccccc2F)cc(NC2CCCCC2)n1.
What is the InChIKey of 4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is RLUJMYXGHIMJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-12-19-16(21-13-7-3-2-4-8-13)11-17(20-12)22-15-10-6-5-9-14(15)18/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 300.38 g/mol, XLogP of 4.41, 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-fluorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112869068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).