4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

C21H24N4O2 — CID 112895305

IUPAC4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1cccc(CCNc2nccc(Nc3cc(C)ccc3OC)n2)c1
InChIInChI=1S/C21H24N4O2/c1-15-7-8-19(27-3)18(13-15)24-20-10-12-23-21(25-20)22-11-9-16-5-4-6-17(14-16)26-2/h4-8,10,12-14H,9,11H2,1-3H3,(H2,22,23,24,25)
InChIKeyNGQCHXQFGKFCRW-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.20
Rot. Bonds8

About 4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 112895305) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID112895305
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1cccc(CCNc2nccc(Nc3cc(C)ccc3OC)n2)c1
InChIInChI=1S/C21H24N4O2/c1-15-7-8-19(27-3)18(13-15)24-20-10-12-23-21(25-20)22-11-9-16-5-4-6-17(14-16)26-2/h4-8,10,12-14H,9,11H2,1-3H3,(H2,22,23,24,25)
InChIKeyNGQCHXQFGKFCRW-UHFFFAOYSA-N
XLogP4.20
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895300
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112901406
4-N-(4-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895302
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112901460
4-N-tert-butyl-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895252
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126
2-[[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112895341
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895133
4-N-(2,5-dimethoxyphenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894629
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 112897002
4-N-(2,4-dimethoxyphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905061
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112895145

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (CID 112895305) is 4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is COc1cccc(CCNc2nccc(Nc3cc(C)ccc3OC)n2)c1.
What is the InChIKey of 4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is NGQCHXQFGKFCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-7-8-19(27-3)18(13-15)24-20-10-12-23-21(25-20)22-11-9-16-5-4-6-17(14-16)26-2/h4-8,10,12-14H,9,11H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112895305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).