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

C20H22N4O — CID 112903019

IUPAC4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1ccnc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C20H22N4O/c1-4-15-8-5-7-14(2)19(15)23-18-11-12-21-20(24-18)22-16-9-6-10-17(13-16)25-3/h5-13H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyXIUXDNKJBLDVKQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.84
Rot. Bonds6

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

4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112903019) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112903019
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1ccnc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C20H22N4O/c1-4-15-8-5-7-14(2)19(15)23-18-11-12-21-20(24-18)22-16-9-6-10-17(13-16)25-3/h5-13H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyXIUXDNKJBLDVKQ-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(2-ethyl-6-methylphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112964565
2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903070
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-ethyl-6-methylphenyl)pyrimidine-2,4-diamine
CID 112903040
4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112901770
1-[4-[[4-(2-ethyl-6-methylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903028
N-(2-ethyl-6-methylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109176999
N-(2-ethyl-6-methylphenyl)-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109220361
4-N-[(2-fluorophenyl)methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112891171
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109315975
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889764
2-N-(3-methoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886107
N-(2-ethyl-6-methylphenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109162989

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine (CID 112903019) is 4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine is CCc1cccc(C)c1Nc1ccnc(Nc2cccc(OC)c2)n1.
What is the InChIKey of 4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is XIUXDNKJBLDVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-15-8-5-7-14(2)19(15)23-18-11-12-21-20(24-18)22-16-9-6-10-17(13-16)25-3/h5-13H,4H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112903019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).