6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine

C21H24N4O2 — CID 112862591

IUPAC6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3ccc(C)c(C)c3)ncn2)cc1OC
InChIInChI=1S/C21H24N4O2/c1-14-5-7-17(9-15(14)2)25-21-11-20(23-13-24-21)22-12-16-6-8-18(26-3)19(10-16)27-4/h5-11,13H,12H2,1-4H3,(H2,22,23,24,25)
InChIKeyADGRHVNEOLCABQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.47
Rot. Bonds7

About 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine

6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine (PubChem CID 112862591) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
PubChem CID112862591
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3ccc(C)c(C)c3)ncn2)cc1OC
InChIInChI=1S/C21H24N4O2/c1-14-5-7-17(9-15(14)2)25-21-11-20(23-13-24-21)22-12-16-6-8-18(26-3)19(10-16)27-4/h5-11,13H,12H2,1-4H3,(H2,22,23,24,25)
InChIKeyADGRHVNEOLCABQ-UHFFFAOYSA-N
XLogP4.47
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-tert-butylphenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112862603
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862593
4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112862613
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859178
N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109352465
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858911
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859045
4-N-(3,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860813
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862476
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861690
4-N-(4-chlorophenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112862488
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859096

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine (CID 112862591) is 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine is COc1ccc(CNc2cc(Nc3ccc(C)c(C)c3)ncn2)cc1OC.
What is the InChIKey of 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is ADGRHVNEOLCABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-5-7-17(9-15(14)2)25-21-11-20(23-13-24-21)22-12-16-6-8-18(26-3)19(10-16)27-4/h5-11,13H,12H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 364.45 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112862591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).