4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

C20H22N4O2 — CID 112897214

IUPAC4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2ccnc(Nc3cccc(C)c3)n2)cc1OC
InChIInChI=1S/C20H22N4O2/c1-14-5-4-6-16(11-14)23-20-21-10-9-19(24-20)22-13-15-7-8-17(25-2)18(12-15)26-3/h4-12H,13H2,1-3H3,(H2,21,22,23,24)
InChIKeyNFPCJORXUQCAGE-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.16
Rot. Bonds7

About 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112897214) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112897214
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2ccnc(Nc3cccc(C)c3)n2)cc1OC
InChIInChI=1S/C20H22N4O2/c1-14-5-4-6-16(11-14)23-20-21-10-9-19(24-20)22-13-15-7-8-17(25-2)18(12-15)26-3/h4-12H,13H2,1-3H3,(H2,21,22,23,24)
InChIKeyNFPCJORXUQCAGE-UHFFFAOYSA-N
XLogP4.16
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889993
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112897265
4-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897321
2-N-(4-methylphenyl)-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890029
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916090
4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112889503
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895133
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112956351
2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891792
4-N-(4-tert-butylphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897317
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859045
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112897214) is 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is COc1ccc(CNc2ccnc(Nc3cccc(C)c3)n2)cc1OC.
What is the InChIKey of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is NFPCJORXUQCAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-5-4-6-16(11-14)23-20-21-10-9-19(24-20)22-13-15-7-8-17(25-2)18(12-15)26-3/h4-12H,13H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 350.42 g/mol, XLogP of 4.16, 7 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)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112897214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).