2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide

C18H23ClN4O2 — CID 109264082

IUPAC2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)Nc2cc(C)c(Cl)cc2OC)cn1
InChIInChI=1S/C18H23ClN4O2/c1-5-6-7-23(3)18-20-10-13(11-21-18)17(24)22-15-8-12(2)14(19)9-16(15)25-4/h8-11H,5-7H2,1-4H3,(H,22,24)
InChIKeyJEUQAPDSNQSTHL-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.94
Rot. Bonds7

About 2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide

2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109264082) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109264082
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)Nc2cc(C)c(Cl)cc2OC)cn1
InChIInChI=1S/C18H23ClN4O2/c1-5-6-7-23(3)18-20-10-13(11-21-18)17(24)22-15-8-12(2)14(19)9-16(15)25-4/h8-11H,5-7H2,1-4H3,(H,22,24)
InChIKeyJEUQAPDSNQSTHL-UHFFFAOYSA-N
XLogP3.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109175621
2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109264034
6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109151665
2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109264005
6-amino-5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153748
2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158798
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106836
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162350
4-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045847
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270671

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide (CID 109264082) is 2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide is CCCCN(C)c1ncc(C(=O)Nc2cc(C)c(Cl)cc2OC)cn1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is JEUQAPDSNQSTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-5-6-7-23(3)18-20-10-13(11-21-18)17(24)22-15-8-12(2)14(19)9-16(15)25-4/h8-11H,5-7H2,1-4H3,(H,22,24).
What are the key properties of 2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide?
2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).