6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide

C22H24N4O3 — CID 109352305

IUPAC6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)Nc3ccc(C)cc3)ncn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-15-4-7-17(8-5-15)26-22(27)18-13-21(25-14-24-18)23-11-10-16-6-9-19(28-2)20(12-16)29-3/h4-9,12-14H,10-11H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyGHUWPEAWDKSFED-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.71
Rot. Bonds8

About 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide

6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109352305) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109352305
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)Nc3ccc(C)cc3)ncn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-15-4-7-17(8-5-15)26-22(27)18-13-21(25-14-24-18)23-11-10-16-6-9-19(28-2)20(12-16)29-3/h4-9,12-14H,10-11H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyGHUWPEAWDKSFED-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109351304
6-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352342
N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109346649
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide
CID 113013902
N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340809
N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109342014
6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347409
N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344173
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339467
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109350430
N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351455
N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351185

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109352305) is 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide is COc1ccc(CCNc2cc(C(=O)Nc3ccc(C)cc3)ncn2)cc1OC.
What is the InChIKey of 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is GHUWPEAWDKSFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-4-7-17(8-5-15)26-22(27)18-13-21(25-14-24-18)23-11-10-16-6-9-19(28-2)20(12-16)29-3/h4-9,12-14H,10-11H2,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide?
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109352305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).