2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide

C10H15ClN4O — CID 62343261

IUPAC2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1ccnc(Cl)n1
InChIInChI=1S/C10H15ClN4O/c1-2-3-6-15(7-8(12)16)9-4-5-13-10(11)14-9/h4-5H,2-3,6-7H2,1H3,(H2,12,16)
InChIKeyDYAYNVVEWUULFO-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.22
Rot. Bonds6

About 2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide

2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide (PubChem CID 62343261) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide
PubChem CID62343261
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1ccnc(Cl)n1
InChIInChI=1S/C10H15ClN4O/c1-2-3-6-15(7-8(12)16)9-4-5-13-10(11)14-9/h4-5H,2-3,6-7H2,1H3,(H2,12,16)
InChIKeyDYAYNVVEWUULFO-UHFFFAOYSA-N
XLogP1.22
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-aminopyrimidin-4-yl)-butylamino]acetamide
CID 80821112
2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80821107
2-[(4-aminopyrimidin-2-yl)-butylamino]acetamide
CID 116796582
2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine
CID 62342855
2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide
CID 80947162
2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide
CID 82817305
2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide
CID 80692698
2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80636665
2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol
CID 80808960
2-chloro-5-[(2-chloropyrimidin-4-yl)-propylamino]benzoic acid
CID 88922466
2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide
CID 115486965

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide (CID 62343261) is 2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide is CCCCN(CC(N)=O)c1ccnc(Cl)n1.
What is the InChIKey of 2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide?
The InChIKey is DYAYNVVEWUULFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-2-3-6-15(7-8(12)16)9-4-5-13-10(11)14-9/h4-5H,2-3,6-7H2,1H3,(H2,12,16).
What are the key properties of 2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide?
2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide has a molecular weight of 242.71 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 62343261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).