N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide

C22H24N4O3 — CID 109267979

IUPACN-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3ccc(C(C)C)cc3)nc2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14(2)15-5-7-17(8-6-15)26-22-23-12-16(13-24-22)21(27)25-18-9-10-19(28-3)20(11-18)29-4/h5-14H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyHPFQBFXHBXCUFP-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.61
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide

N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109267979) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
PubChem CID109267979
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3ccc(C(C)C)cc3)nc2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14(2)15-5-7-17(8-6-15)26-22-23-12-16(13-24-22)21(27)25-18-9-10-19(28-3)20(11-18)29-4/h5-14H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyHPFQBFXHBXCUFP-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloroanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109268889
2-(3-chloro-4-methoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267919
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109267530
N-(3,4-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248760
N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109269304
2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109266917
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269995
5-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109198682
N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257822
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257924
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide (CID 109267979) is N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(Nc3ccc(C(C)C)cc3)nc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is HPFQBFXHBXCUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)15-5-7-17(8-6-15)26-22-23-12-16(13-24-22)21(27)25-18-9-10-19(28-3)20(11-18)29-4/h5-14H,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.61, 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)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).