4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine

C18H26N4O2 — CID 112925313

IUPAC4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(C)nc(NCCC(C)C)n2)cc1OC
InChIInChI=1S/C18H26N4O2/c1-12(2)8-9-19-18-20-13(3)10-17(22-18)21-14-6-7-15(23-4)16(11-14)24-5/h6-7,10-12H,8-9H2,1-5H3,(H2,19,20,21,22)
InChIKeyHLIZEKZSSQGQAI-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.00
Rot. Bonds8

About 4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine

4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 112925313) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID112925313
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(C)nc(NCCC(C)C)n2)cc1OC
InChIInChI=1S/C18H26N4O2/c1-12(2)8-9-19-18-20-13(3)10-17(22-18)21-14-6-7-15(23-4)16(11-14)24-5/h6-7,10-12H,8-9H2,1-5H3,(H2,19,20,21,22)
InChIKeyHLIZEKZSSQGQAI-UHFFFAOYSA-N
XLogP4.00
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-N-(3-methylbutyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112925268
4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919972
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358
4-N-(3,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864034
4-N-(3,4-dimethoxyphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915400
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922586
4-N-(3-chloro-4-methylphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112922814
1-(3,4-dimethoxyphenyl)-3-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]urea
CID 122325232
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112922789
2-N-(3-methoxyphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925190
4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925276
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112925266

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 112925313) is 4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine is COc1ccc(Nc2cc(C)nc(NCCC(C)C)n2)cc1OC.
What is the InChIKey of 4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is HLIZEKZSSQGQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(2)8-9-19-18-20-13(3)10-17(22-18)21-14-6-7-15(23-4)16(11-14)24-5/h6-7,10-12H,8-9H2,1-5H3,(H2,19,20,21,22).
What are the key properties of 4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 330.43 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112925313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).