2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine

C21H30N4 — CID 112910397

IUPAC2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C21H30N4/c1-16(2)25(15-18-10-6-4-7-11-18)21-22-17(3)14-20(24-21)23-19-12-8-5-9-13-19/h4,6-7,10-11,14,16,19H,5,8-9,12-13,15H2,1-3H3,(H,22,23,24)
InChIKeyCFDRAIICPLCLKE-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.94
Rot. Bonds6

About 2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine

2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112910397) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112910397
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C21H30N4/c1-16(2)25(15-18-10-6-4-7-11-18)21-22-17(3)14-20(24-21)23-19-12-8-5-9-13-19/h4,6-7,10-11,14,16,19H,5,8-9,12-13,15H2,1-3H3,(H,22,23,24)
InChIKeyCFDRAIICPLCLKE-UHFFFAOYSA-N
XLogP4.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112909623
2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
CID 112907142
2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322163
4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112856249
4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112855887
2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925140
2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine
CID 112884136
2-N-benzyl-4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112920555
4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112909680
4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112909804
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321059

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 112910397) is 2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine is Cc1cc(NC2CCCCC2)nc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is CFDRAIICPLCLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-16(2)25(15-18-10-6-4-7-11-18)21-22-17(3)14-20(24-21)23-19-12-8-5-9-13-19/h4,6-7,10-11,14,16,19H,5,8-9,12-13,15H2,1-3H3,(H,22,23,24).
What are the key properties of 2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 338.50 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112910397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).