6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide

C22H24N4O3 — CID 109352431

IUPAC6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(NCc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C22H24N4O3/c1-4-16-7-5-6-8-17(16)26-22(27)18-12-21(25-14-24-18)23-13-15-9-10-19(28-2)20(11-15)29-3/h5-12,14H,4,13H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyWFZJVXOGABWVCK-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.92
Rot. Bonds8

About 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide

6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109352431) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
PubChem CID109352431
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(NCc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C22H24N4O3/c1-4-16-7-5-6-8-17(16)26-22(27)18-12-21(25-14-24-18)23-13-15-9-10-19(28-2)20(11-15)29-3/h5-12,14H,4,13H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyWFZJVXOGABWVCK-UHFFFAOYSA-N
XLogP3.92
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109352420
6-(1,3-benzodioxol-5-ylmethylamino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109349289
N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109357298
6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109346555
6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347409
6-[(3,4-dimethoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343328
6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109348556
N-(2-tert-butylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349091
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109350430
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858911
N-(4-chloro-2-methylphenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348899

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide (CID 109352431) is 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(NCc2ccc(OC)c(OC)c2)ncn1.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is WFZJVXOGABWVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-16-7-5-6-8-17(16)26-22(27)18-12-21(25-14-24-18)23-13-15-9-10-19(28-2)20(11-15)29-3/h5-12,14H,4,13H2,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109352431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).