4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine

C17H22N4 — CID 112884937

IUPAC4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
SMILESc1ccc(CNc2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-3-7-14(8-4-1)13-19-16-11-12-18-17(21-16)20-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H2,18,19,20,21)
InChIKeyLQJFSZIVBBNOLR-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.83
Rot. Bonds5

About 4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine

4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine (PubChem CID 112884937) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
PubChem CID112884937
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
SMILESc1ccc(CNc2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-3-7-14(8-4-1)13-19-16-11-12-18-17(21-16)20-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H2,18,19,20,21)
InChIKeyLQJFSZIVBBNOLR-UHFFFAOYSA-N
XLogP3.83
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112884943
2-N-(1-benzylpiperidin-4-yl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 70694566
4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112884771
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine
CID 112884764
4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
CID 112884942
2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112884929
2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine (CID 112884937) is 4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine is c1ccc(CNc2ccnc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine?
The InChIKey is LQJFSZIVBBNOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-7-14(8-4-1)13-19-16-11-12-18-17(21-16)20-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H2,18,19,20,21).
What are the key properties of 4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine is sourced from PubChem (CID 112884937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).