4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine

C18H24N4 — CID 112884942

IUPAC4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C18H24N4/c1-22(14-15-8-4-2-5-9-15)17-12-13-19-18(21-17)20-16-10-6-3-7-11-16/h2,4-5,8-9,12-13,16H,3,6-7,10-11,14H2,1H3,(H,19,20,21)
InChIKeyYMDVZWYJBWMUHT-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.86
Rot. Bonds5

About 4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine

4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 112884942) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID112884942
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C18H24N4/c1-22(14-15-8-4-2-5-9-15)17-12-13-19-18(21-17)20-16-10-6-3-7-11-16/h2,4-5,8-9,12-13,16H,3,6-7,10-11,14H2,1H3,(H,19,20,21)
InChIKeyYMDVZWYJBWMUHT-UHFFFAOYSA-N
XLogP3.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine
CID 112884331
4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112909804
2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112884385
2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine
CID 112884136
2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112899961
4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890671
4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797
4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112884937
2-[6-[benzyl(methyl)amino]-2-pyridinyl]-2-[2-(cyclopentylamino)-5-methylpyrimidin-4-yl]acetonitrile
CID 11350463
2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112909623
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112890866

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine (CID 112884942) is 4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine is CN(Cc1ccccc1)c1ccnc(NC2CCCCC2)n1.
What is the InChIKey of 4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is YMDVZWYJBWMUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-22(14-15-8-4-2-5-9-15)17-12-13-19-18(21-17)20-16-10-6-3-7-11-16/h2,4-5,8-9,12-13,16H,3,6-7,10-11,14H2,1H3,(H,19,20,21).
What are the key properties of 4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112884942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).