4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine

C21H24N4O — CID 112918596

IUPAC4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(C)cc(Nc3cccc(C)c3C)n2)cc1
InChIInChI=1S/C21H24N4O/c1-14-6-5-7-19(16(14)3)24-20-12-15(2)23-21(25-20)22-13-17-8-10-18(26-4)11-9-17/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeyKBLNJRZNBYNOOE-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.77
Rot. Bonds6

About 4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine

4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112918596) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112918596
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(C)cc(Nc3cccc(C)c3C)n2)cc1
InChIInChI=1S/C21H24N4O/c1-14-6-5-7-19(16(14)3)24-20-12-15(2)23-21(25-20)22-13-17-8-10-18(26-4)11-9-17/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeyKBLNJRZNBYNOOE-UHFFFAOYSA-N
XLogP4.77
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(2,3-dimethylphenyl)-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951223
2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112918650
2-N-(2,6-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918471
2-N-(2,4-dimethoxyphenyl)-4-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928481
2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112918669
4-N-(3-methoxyphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916560
4-N-(4-fluorophenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918608
2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915711
3-[[2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112918663
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918617
4-N-[(4-methoxyphenyl)methyl]-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112918480
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922548

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 112918596) is 4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine is COc1ccc(CNc2nc(C)cc(Nc3cccc(C)c3C)n2)cc1.
What is the InChIKey of 4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is KBLNJRZNBYNOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-6-5-7-19(16(14)3)24-20-12-15(2)23-21(25-20)22-13-17-8-10-18(26-4)11-9-17/h5-12H,13H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112918596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).