N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide

C17H22N4O3 — CID 109297406

IUPACN-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C17H22N4O3/c1-5-11(2)19-16(22)14-8-9-18-17(21-14)20-13-7-6-12(23-3)10-15(13)24-4/h6-11H,5H2,1-4H3,(H,19,22)(H,18,20,21)
InChIKeyOBLWSWPOCUEQRM-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.77
Rot. Bonds7

About N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide

N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109297406) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109297406
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C17H22N4O3/c1-5-11(2)19-16(22)14-8-9-18-17(21-14)20-13-7-6-12(23-3)10-15(13)24-4/h6-11H,5H2,1-4H3,(H,19,22)(H,18,20,21)
InChIKeyOBLWSWPOCUEQRM-UHFFFAOYSA-N
XLogP2.77
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318052
methyl 4-[[4-(butan-2-ylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297417
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359
N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109297451
N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109297361
4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109044149
N-(2,4-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315278
N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109295850
N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109297372
4-N-butan-2-yl-2-N-(2,5-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080066

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide (CID 109297406) is N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide is CCC(C)NC(=O)c1ccnc(Nc2ccc(OC)cc2OC)n1.
What is the InChIKey of N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is OBLWSWPOCUEQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-5-11(2)19-16(22)14-8-9-18-17(21-14)20-13-7-6-12(23-3)10-15(13)24-4/h6-11H,5H2,1-4H3,(H,19,22)(H,18,20,21).
What are the key properties of N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide?
N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109297406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).