2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine

C21H24N4 — CID 112889696

IUPAC2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1nccc(NCc2ccccc2C)n1
InChIInChI=1S/C21H24N4/c1-3-25(16-18-10-5-4-6-11-18)21-22-14-13-20(24-21)23-15-19-12-8-7-9-17(19)2/h4-14H,3,15-16H2,1-2H3,(H,22,23,24)
InChIKeySIXCLWAOTUVZGW-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.42
Rot. Bonds7

About 2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine

2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112889696) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112889696
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1nccc(NCc2ccccc2C)n1
InChIInChI=1S/C21H24N4/c1-3-25(16-18-10-5-4-6-11-18)21-22-14-13-20(24-21)23-15-19-12-8-7-9-17(19)2/h4-14H,3,15-16H2,1-2H3,(H,22,23,24)
InChIKeySIXCLWAOTUVZGW-UHFFFAOYSA-N
XLogP4.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-2-N-ethyl-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891362
2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882826
2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889740
4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915931
2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438
2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882242
2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890009
4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889893
2-N-benzyl-2-N-ethyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112893092
4-N-[(2-methylphenyl)methyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112889699
2-N-butyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883006
4-N-[(2-methylphenyl)methyl]-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112889814

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112889696) is 2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is CCN(Cc1ccccc1)c1nccc(NCc2ccccc2C)n1.
What is the InChIKey of 2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is SIXCLWAOTUVZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-3-25(16-18-10-5-4-6-11-18)21-22-14-13-20(24-21)23-15-19-12-8-7-9-17(19)2/h4-14H,3,15-16H2,1-2H3,(H,22,23,24).
What are the key properties of 2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112889696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).