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

C20H22N4O — CID 112928423

IUPAC2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2cc(C)nc(Nc3c(C)cccc3C)n2)c1
InChIInChI=1S/C20H22N4O/c1-13-7-5-8-14(2)19(13)24-20-21-15(3)11-18(23-20)22-16-9-6-10-17(12-16)25-4/h5-12H,1-4H3,(H2,21,22,23,24)
InChIKeyKAJWGDXTXVDHCB-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.90
Rot. Bonds5

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

2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112928423) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112928423
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2cc(C)nc(Nc3c(C)cccc3C)n2)c1
InChIInChI=1S/C20H22N4O/c1-13-7-5-8-14(2)19(13)24-20-21-15(3)11-18(23-20)22-16-9-6-10-17(12-16)25-4/h5-12H,1-4H3,(H2,21,22,23,24)
InChIKeyKAJWGDXTXVDHCB-UHFFFAOYSA-N
XLogP4.90
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927268
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930113
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926803
4-N-(2,5-dimethylphenyl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928074
2-N-(3-chloro-4-methoxyphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930286
4-[[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194354
1-[4-[[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112930619
4-N-(2,6-dimethylphenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928394
2-N-(3-bromophenyl)-4-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928396
4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112930602
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930640
4-N-(3-methoxyphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916560

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 112928423) is 2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is COc1cccc(Nc2cc(C)nc(Nc3c(C)cccc3C)n2)c1.
What is the InChIKey of 2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is KAJWGDXTXVDHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-7-5-8-14(2)19(13)24-20-21-15(3)11-18(23-20)22-16-9-6-10-17(12-16)25-4/h5-12H,1-4H3,(H2,21,22,23,24).
What are the key properties of 2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112928423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).