2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide

C17H22N4O3 — CID 109249144

IUPAC2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCC(C)Nc1ncc(C(=O)Nc2ccc(OC)cc2OC)cn1
InChIInChI=1S/C17H22N4O3/c1-5-11(2)20-17-18-9-12(10-19-17)16(22)21-14-7-6-13(23-3)8-15(14)24-4/h6-11H,5H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyZEDCACMVHQQOFL-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.96
Rot. Bonds7

About 2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide

2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109249144) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109249144
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCC(C)Nc1ncc(C(=O)Nc2ccc(OC)cc2OC)cn1
InChIInChI=1S/C17H22N4O3/c1-5-11(2)20-17-18-9-12(10-19-17)16(22)21-14-7-6-13(23-3)8-15(14)24-4/h6-11H,5H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyZEDCACMVHQQOFL-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109044149
2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109255477
N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256303
2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109249103
2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267314
2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109249139
2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109264034
N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246802
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547
2-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109258498
N-(2,4-dimethoxyphenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156154

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide (CID 109249144) is 2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide is CCC(C)Nc1ncc(C(=O)Nc2ccc(OC)cc2OC)cn1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is ZEDCACMVHQQOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-5-11(2)20-17-18-9-12(10-19-17)16(22)21-14-7-6-13(23-3)8-15(14)24-4/h6-11H,5H2,1-4H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide?
2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109249144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).