4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine

C22H26N4O3 — CID 112903224

IUPAC4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2ccnc(Nc3c(C)cc(C)cc3C)n2)cc(OC)c1OC
InChIInChI=1S/C22H26N4O3/c1-13-9-14(2)20(15(3)10-13)26-22-23-8-7-19(25-22)24-16-11-17(27-4)21(29-6)18(12-16)28-5/h7-12H,1-6H3,(H2,23,24,25,26)
InChIKeyFUUGSQBYTQJDJW-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.91
Rot. Bonds7

About 4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine

4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 112903224) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
PubChem CID112903224
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2ccnc(Nc3c(C)cc(C)cc3C)n2)cc(OC)c1OC
InChIInChI=1S/C22H26N4O3/c1-13-9-14(2)20(15(3)10-13)26-22-23-8-7-19(25-22)24-16-11-17(27-4)21(29-6)18(12-16)28-5/h7-12H,1-6H3,(H2,23,24,25,26)
InChIKeyFUUGSQBYTQJDJW-UHFFFAOYSA-N
XLogP4.91
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903070
4-N-(2,4-dimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903212
2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884414
2-N-(2-chlorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903653
2-N-(2,5-dimethoxyphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903194
2-N-[4-(trifluoromethyl)phenyl]-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 117091406
[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]urea
CID 151561300
4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112892502
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902605
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112928352
4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902465
4-N-[4,5-dimethyl-2-[2-(methylamino)ethyl]pyrazol-3-yl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 71232375

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine (CID 112903224) is 4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2ccnc(Nc3c(C)cc(C)cc3C)n2)cc(OC)c1OC.
What is the InChIKey of 4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is FUUGSQBYTQJDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-13-9-14(2)20(15(3)10-13)26-22-23-8-7-19(25-22)24-16-11-17(27-4)21(29-6)18(12-16)28-5/h7-12H,1-6H3,(H2,23,24,25,26).
What are the key properties of 4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 394.48 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112903224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).