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

C22H26N4O3 — CID 112903070

IUPAC2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1nccc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C22H26N4O3/c1-6-15-9-7-8-14(2)20(15)26-22-23-11-10-19(25-22)24-16-12-17(27-3)21(29-5)18(13-16)28-4/h7-13H,6H2,1-5H3,(H2,23,24,25,26)
InChIKeyWHKCZRHPWRHUFW-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.86
Rot. Bonds8

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

2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112903070) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112903070
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1nccc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C22H26N4O3/c1-6-15-9-7-8-14(2)20(15)26-22-23-11-10-19(25-22)24-16-12-17(27-3)21(29-5)18(13-16)28-4/h7-13H,6H2,1-5H3,(H2,23,24,25,26)
InChIKeyWHKCZRHPWRHUFW-UHFFFAOYSA-N
XLogP4.86
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903224
4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903019
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889764
2-N-(2-chlorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903653
1-[4-[[4-(2-ethyl-6-methylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903028
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-ethyl-6-methylphenyl)pyrimidine-2,4-diamine
CID 112903040
1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866639
2-N-[4-(trifluoromethyl)phenyl]-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 117091406
4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112892502
[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]urea
CID 151561300
2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884414
4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112901770

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (CID 112903070) is 2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is CCc1cccc(C)c1Nc1nccc(Nc2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is WHKCZRHPWRHUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-6-15-9-7-8-14(2)20(15)26-22-23-11-10-19(25-22)24-16-12-17(27-3)21(29-5)18(13-16)28-4/h7-13H,6H2,1-5H3,(H2,23,24,25,26).
What are the key properties of 2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 394.48 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112903070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).