2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide

C14H23ClN4O — CID 80972549

IUPAC2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(CCC)nc(Cl)c1C
InChIInChI=1S/C14H23ClN4O/c1-4-6-8-19(9-11(16)20)14-10(3)13(15)17-12(18-14)7-5-2/h4-9H2,1-3H3,(H2,16,20)
InChIKeyRHTGOYAYNDBFGX-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.48
Rot. Bonds8

About 2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide

2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide (PubChem CID 80972549) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide
PubChem CID80972549
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(CCC)nc(Cl)c1C
InChIInChI=1S/C14H23ClN4O/c1-4-6-8-19(9-11(16)20)14-10(3)13(15)17-12(18-14)7-5-2/h4-9H2,1-3H3,(H2,16,20)
InChIKeyRHTGOYAYNDBFGX-UHFFFAOYSA-N
XLogP2.48
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-ethylamino]acetamide
CID 103103666
2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide
CID 80971414
N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995620
2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80982412
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80970815
2-[(5-amino-2-methyl-1H-imidazol-4-yl)-butylamino]acetamide
CID 114995054
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107482089
2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide
CID 80947162
2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757385
6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80970845
2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
CID 80821350
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 80987636

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide (CID 80972549) is 2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide is CCCCN(CC(N)=O)c1nc(CCC)nc(Cl)c1C.
What is the InChIKey of 2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide?
The InChIKey is RHTGOYAYNDBFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-4-6-8-19(9-11(16)20)14-10(3)13(15)17-12(18-14)7-5-2/h4-9H2,1-3H3,(H2,16,20).
What are the key properties of 2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide?
2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide has a molecular weight of 298.82 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 80972549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).