N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide

C9H10Cl2N4O — CID 169466857

IUPACN-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C9H10Cl2N4O/c1-5(16)13-4-2-3-6-7(10)14-9(12)15-8(6)11/h2-3H,4H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyXBZZIAXWZHITNL-UHFFFAOYSA-N
MW261.11 g/mol
LogP1.51
Rot. Bonds3

About N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide

N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide (PubChem CID 169466857) has the molecular formula C9H10Cl2N4O and a molecular weight of 261.11 g/mol. Its IUPAC name is N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide
PubChem CID169466857
Molecular FormulaC9H10Cl2N4O
Molecular Weight261.11 g/mol
Exact Mass260.02
IUPAC NameN-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C9H10Cl2N4O/c1-5(16)13-4-2-3-6-7(10)14-9(12)15-8(6)11/h2-3H,4H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyXBZZIAXWZHITNL-UHFFFAOYSA-N
XLogP1.51
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide (CID 169466857) is N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1c(Cl)nc(N)nc1Cl.
What is the InChIKey of N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide?
The InChIKey is XBZZIAXWZHITNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4O/c1-5(16)13-4-2-3-6-7(10)14-9(12)15-8(6)11/h2-3H,4H2,1H3,(H,13,16)(H2,12,14,15).
What are the key properties of N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide?
N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide has a molecular weight of 261.11 g/mol, XLogP of 1.51, 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-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).