4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine

C20H22N4O3 — CID 112892600

IUPAC4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nccc(Nc3ccc(OC)cc3OC)n2)cc1
InChIInChI=1S/C20H22N4O3/c1-25-15-6-4-14(5-7-15)13-22-20-21-11-10-19(24-20)23-17-9-8-16(26-2)12-18(17)27-3/h4-12H,13H2,1-3H3,(H2,21,22,23,24)
InChIKeyWCTDDIPDYJLSID-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.86
Rot. Bonds8

About 4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine

4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112892600) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112892600
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nccc(Nc3ccc(OC)cc3OC)n2)cc1
InChIInChI=1S/C20H22N4O3/c1-25-15-6-4-14(5-7-15)13-22-20-21-11-10-19(24-20)23-17-9-8-16(26-2)12-18(17)27-3/h4-12H,13H2,1-3H3,(H2,21,22,23,24)
InChIKeyWCTDDIPDYJLSID-UHFFFAOYSA-N
XLogP3.86
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897338
2-N-(2,4-dimethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890347
4-N-(2,4-dimethoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899399
4-N-(2-ethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892594
4-N-(2,4-dimethoxyphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905061
4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112892502
4-N-(2,4-dimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903212
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
5-N-(2,4-dimethoxyphenyl)-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948814
4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887531
2-N-(2,5-dimethoxyphenyl)-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891459
4-N-(2,4-dimethoxyphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905226

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 112892600) is 4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1ccc(CNc2nccc(Nc3ccc(OC)cc3OC)n2)cc1.
What is the InChIKey of 4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is WCTDDIPDYJLSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-25-15-6-4-14(5-7-15)13-22-20-21-11-10-19(24-20)23-17-9-8-16(26-2)12-18(17)27-3/h4-12H,13H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 366.42 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112892600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).