2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide

C19H26N4O — CID 109264005

IUPAC2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)Nc2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C19H26N4O/c1-6-7-8-23(5)19-20-11-16(12-21-19)18(24)22-17-14(3)9-13(2)10-15(17)4/h9-12H,6-8H2,1-5H3,(H,22,24)
InChIKeyCBFJOHCWMKLJNC-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.89
Rot. Bonds6

About 2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide

2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109264005) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109264005
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)Nc2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C19H26N4O/c1-6-7-8-23(5)19-20-11-16(12-21-19)18(24)22-17-14(3)9-13(2)10-15(17)4/h9-12H,6-8H2,1-5H3,(H,22,24)
InChIKeyCBFJOHCWMKLJNC-UHFFFAOYSA-N
XLogP3.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109240384
2-(pentylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109263774
4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217835
2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109264082
2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268042
2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109264058
2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 82283844
2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248509
2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109264034
4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 4935004
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090075
2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 3026196

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide (CID 109264005) is 2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide is CCCCN(C)c1ncc(C(=O)Nc2c(C)cc(C)cc2C)cn1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is CBFJOHCWMKLJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-6-7-8-23(5)19-20-11-16(12-21-19)18(24)22-17-14(3)9-13(2)10-15(17)4/h9-12H,6-8H2,1-5H3,(H,22,24).
What are the key properties of 2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).