2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine

C20H22N4 — CID 112915698

IUPAC2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1cc(C)nc(NCc2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-3-17-11-7-8-12-18(17)23-19-13-15(2)22-20(24-19)21-14-16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H2,21,22,23,24)
InChIKeyDLCIQUQYVZVZLL-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.70
Rot. Bonds6

About 2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine

2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112915698) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112915698
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1cc(C)nc(NCc2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-3-17-11-7-8-12-18(17)23-19-13-15(2)22-20(24-19)21-14-16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H2,21,22,23,24)
InChIKeyDLCIQUQYVZVZLL-UHFFFAOYSA-N
XLogP4.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918116
2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112915708
4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907315
4-N-(2-ethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916817
2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915711
2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928595
2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80808085
2-N-(2,6-difluorophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928610
4-N-(2-ethylphenyl)-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928565
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937314
4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919939

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112915698) is 2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine is CCc1ccccc1Nc1cc(C)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is DLCIQUQYVZVZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-17-11-7-8-12-18(17)23-19-13-15(2)22-20(24-19)21-14-16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112915698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).