N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide

C22H24N4O3 — CID 109261506

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3cc(C)cc(C)c3)nc2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-7-15(2)9-18(8-14)26-22-24-12-17(13-25-22)21(27)23-11-16-5-6-19(28-3)20(10-16)29-4/h5-10,12-13H,11H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyBXYDDORMHGKXKH-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.78
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide (PubChem CID 109261506) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
PubChem CID109261506
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3cc(C)cc(C)c3)nc2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-7-15(2)9-18(8-14)26-22-24-12-17(13-25-22)21(27)23-11-16-5-6-19(28-3)20(10-16)29-4/h5-10,12-13H,11H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyBXYDDORMHGKXKH-UHFFFAOYSA-N
XLogP3.78
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256132
2-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257218
2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259148
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259114
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248678
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
2-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256158
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109159951
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109267530
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261551
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide (CID 109261506) is N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide is COc1ccc(CNC(=O)c2cnc(Nc3cc(C)cc(C)c3)nc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide?
The InChIKey is BXYDDORMHGKXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-7-15(2)9-18(8-14)26-22-24-12-17(13-25-22)21(27)23-11-16-5-6-19(28-3)20(10-16)29-4/h5-10,12-13H,11H2,1-4H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109261506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).