N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide

C9H11ClN4O — CID 169465228

IUPACN-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc(N)nc1Cl
InChIInChI=1S/C9H11ClN4O/c1-6(15)12-4-2-3-7-5-13-9(11)14-8(7)10/h2-3,5H,4H2,1H3,(H,12,15)(H2,11,13,14)
InChIKeyPUMHOHHUYLGNKD-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.86
Rot. Bonds3

About N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide

N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide (PubChem CID 169465228) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
PubChem CID169465228
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC NameN-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc(N)nc1Cl
InChIInChI=1S/C9H11ClN4O/c1-6(15)12-4-2-3-7-5-13-9(11)14-8(7)10/h2-3,5H,4H2,1H3,(H,12,15)(H2,11,13,14)
InChIKeyPUMHOHHUYLGNKD-UHFFFAOYSA-N
XLogP0.86
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169466857
N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465064
5-(3-acetamidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
CID 169465856
N-[3-(3-amino-6-chloropyridazin-4-yl)prop-2-enyl]acetamide
CID 169465223
N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide
CID 169465500
N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide
CID 169466530
N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464897
N-[3-(2-amino-3-pyridinyl)prop-2-enyl]acetamide
CID 169464873
3-(3-acetamidoprop-1-enyl)-6-chloropyridine-2-carboxylic acid
CID 169465848
5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
CID 169465798
3-(3-acetamidoprop-1-enyl)-2-amino-5-chlorobenzoic acid
CID 169466086
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide (CID 169465228) is N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cnc(N)nc1Cl.
What is the InChIKey of N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide?
The InChIKey is PUMHOHHUYLGNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-6(15)12-4-2-3-7-5-13-9(11)14-8(7)10/h2-3,5H,4H2,1H3,(H,12,15)(H2,11,13,14).
What are the key properties of N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide?
N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide has a molecular weight of 226.67 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).