2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide

C18H24N4O3 — CID 109264034

IUPAC2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)Nc2ccc(OC)cc2OC)cn1
InChIInChI=1S/C18H24N4O3/c1-5-6-9-22(2)18-19-11-13(12-20-18)17(23)21-15-8-7-14(24-3)10-16(15)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,23)
InChIKeyXPJPJGLNNCVLMK-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.98
Rot. Bonds8

About 2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide

2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109264034) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109264034
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)Nc2ccc(OC)cc2OC)cn1
InChIInChI=1S/C18H24N4O3/c1-5-6-9-22(2)18-19-11-13(12-20-18)17(23)21-15-8-7-14(24-3)10-16(15)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,23)
InChIKeyXPJPJGLNNCVLMK-UHFFFAOYSA-N
XLogP2.98
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109264082
6-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846968
2-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109258498
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109249144
2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109255477
2-N-butyl-4-N-(2,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109079502
N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256303
N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325
2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109264005
5-N-(2,4-dimethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101267
4-N-(2,4-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045814

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide (CID 109264034) is 2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide is CCCCN(C)c1ncc(C(=O)Nc2ccc(OC)cc2OC)cn1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is XPJPJGLNNCVLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-5-6-9-22(2)18-19-11-13(12-20-18)17(23)21-15-8-7-14(24-3)10-16(15)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,23).
What are the key properties of 2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide?
2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).