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

C20H22N4O — CID 112892168

IUPAC2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1ccnc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C20H22N4O/c1-14-7-6-9-17(15(14)2)23-20-21-12-11-19(24-20)22-13-16-8-4-5-10-18(16)25-3/h4-12H,13H2,1-3H3,(H2,21,22,23,24)
InChIKeyQNSIPIPKGWNDMG-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.46
Rot. Bonds6

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

2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112892168) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112892168
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1ccnc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C20H22N4O/c1-14-7-6-9-17(15(14)2)23-20-21-12-11-19(24-20)22-13-16-8-4-5-10-18(16)25-3/h4-12H,13H2,1-3H3,(H2,21,22,23,24)
InChIKeyQNSIPIPKGWNDMG-UHFFFAOYSA-N
XLogP4.46
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112892157
3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950795
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892245
2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892194
2-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892144
2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112889572
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892179
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
4-N-[(2-methoxyphenyl)methyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112892223
2-N-(4-ethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892170
2-N-(4-ethoxyphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892199
2-N-[(2-methoxyphenyl)methyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892258

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 112892168) is 2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1ccccc1CNc1ccnc(Nc2cccc(C)c2C)n1.
What is the InChIKey of 2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QNSIPIPKGWNDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-7-6-9-17(15(14)2)23-20-21-12-11-19(24-20)22-13-16-8-4-5-10-18(16)25-3/h4-12H,13H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112892168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).