6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide

C18H24N4O — CID 109350562

IUPAC6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCCc2ccccc2)ncn1
InChIInChI=1S/C18H24N4O/c1-3-4-12-22(2)17-13-16(20-14-21-17)18(23)19-11-10-15-8-6-5-7-9-15/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,19,23)
InChIKeyGXSXUOYJSGHJNO-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.69
Rot. Bonds8

About 6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109350562) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109350562
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCCc2ccccc2)ncn1
InChIInChI=1S/C18H24N4O/c1-3-4-12-22(2)17-13-16(20-14-21-17)18(23)19-11-10-15-8-6-5-7-9-15/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,19,23)
InChIKeyGXSXUOYJSGHJNO-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide
CID 109338516
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348168
6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350583
6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347424
N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351495
N-[2-(3-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351369
6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109125564
4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047835
6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109354637
4-[benzyl(methyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109211014
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371833

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109350562) is 6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)NCCc2ccccc2)ncn1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is GXSXUOYJSGHJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-4-12-22(2)17-13-16(20-14-21-17)18(23)19-11-10-15-8-6-5-7-9-15/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,19,23).
What are the key properties of 6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).