2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine

C17H21ClN4 — CID 112884764

IUPAC2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine
SMILESClc1ccccc1CNc1nccc(NC2CCCCC2)n1
InChIInChI=1S/C17H21ClN4/c18-15-9-5-4-6-13(15)12-20-17-19-11-10-16(22-17)21-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H2,19,20,21,22)
InChIKeyWMOKNWJSZRIMOI-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.49
Rot. Bonds5

About 2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine

2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine (PubChem CID 112884764) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine
PubChem CID112884764
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine
SMILESClc1ccccc1CNc1nccc(NC2CCCCC2)n1
InChIInChI=1S/C17H21ClN4/c18-15-9-5-4-6-13(15)12-20-17-19-11-10-16(22-17)21-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H2,19,20,21,22)
InChIKeyWMOKNWJSZRIMOI-UHFFFAOYSA-N
XLogP4.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112950361
3-N-[(2-chlorophenyl)methyl]-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941447
5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942394
5-N-[(2-chlorophenyl)methyl]-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941638
2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112884943
4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112884771
4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882659
2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891673
4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112884937
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine (CID 112884764) is 2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine is Clc1ccccc1CNc1nccc(NC2CCCCC2)n1.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine?
The InChIKey is WMOKNWJSZRIMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c18-15-9-5-4-6-13(15)12-20-17-19-11-10-16(22-17)21-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H2,19,20,21,22).
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine?
2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine has a molecular weight of 316.84 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine is sourced from PubChem (CID 112884764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).