2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine

C20H21ClN4 — CID 112918116

IUPAC2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1cc(C)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H21ClN4/c1-3-16-6-4-5-7-18(16)24-19-12-14(2)23-20(25-19)22-13-15-8-10-17(21)11-9-15/h4-12H,3,13H2,1-2H3,(H2,22,23,24,25)
InChIKeyKTCBRNTZELRSNP-UHFFFAOYSA-N
MW352.87 g/mol
LogP5.36
Rot. Bonds6

About 2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine

2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112918116) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112918116
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1cc(C)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H21ClN4/c1-3-16-6-4-5-7-18(16)24-19-12-14(2)23-20(25-19)22-13-15-8-10-17(21)11-9-15/h4-12H,3,13H2,1-2H3,(H2,22,23,24,25)
InChIKeyKTCBRNTZELRSNP-UHFFFAOYSA-N
XLogP5.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.87
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915698
2-N-(2-chlorophenyl)-4-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918017
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
2-N-(2,6-difluorophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928610
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
N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride
CID 53351957
4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919954
ethyl 2-[[4-[(4-chlorophenyl)methylamino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112918054
4-N-(2-ethylphenyl)-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928565

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112918116) is 2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine is CCc1ccccc1Nc1cc(C)nc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is KTCBRNTZELRSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-3-16-6-4-5-7-18(16)24-19-12-14(2)23-20(25-19)22-13-15-8-10-17(21)11-9-15/h4-12H,3,13H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 352.87 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112918116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).