4-amino-5-chloro-1-methylpyrimidin-2-one;ethane

C7H12ClN3O — CID 169190448

IUPAC4-amino-5-chloro-1-methylpyrimidin-2-one;ethane
SMILESCC.Cn1cc(Cl)c(N)nc1=O
InChIInChI=1S/C5H6ClN3O.C2H6/c1-9-2-3(6)4(7)8-5(9)10;1-2/h2H,1H3,(H2,7,8,10);1-2H3
InChIKeySHUJYPVTIOOPLI-UHFFFAOYSA-N
MW189.65 g/mol
LogP1.04
Rot. Bonds

About 4-amino-5-chloro-1-methylpyrimidin-2-one;ethane

4-amino-5-chloro-1-methylpyrimidin-2-one;ethane (PubChem CID 169190448) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 4-amino-5-chloro-1-methylpyrimidin-2-one;ethane.

Molecular Properties

Compound Name4-amino-5-chloro-1-methylpyrimidin-2-one;ethane
PubChem CID169190448
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name4-amino-5-chloro-1-methylpyrimidin-2-one;ethane
SMILESCC.Cn1cc(Cl)c(N)nc1=O
InChIInChI=1S/C5H6ClN3O.C2H6/c1-9-2-3(6)4(7)8-5(9)10;1-2/h2H,1H3,(H2,7,8,10);1-2H3
InChIKeySHUJYPVTIOOPLI-UHFFFAOYSA-N
XLogP1.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-1-methylpyrimidin-2-one;ethane?
The IUPAC name of 4-amino-5-chloro-1-methylpyrimidin-2-one;ethane (CID 169190448) is 4-amino-5-chloro-1-methylpyrimidin-2-one;ethane.
What is the SMILES notation for 4-amino-5-chloro-1-methylpyrimidin-2-one;ethane?
The canonical SMILES for 4-amino-5-chloro-1-methylpyrimidin-2-one;ethane is CC.Cn1cc(Cl)c(N)nc1=O.
What is the InChIKey of 4-amino-5-chloro-1-methylpyrimidin-2-one;ethane?
The InChIKey is SHUJYPVTIOOPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O.C2H6/c1-9-2-3(6)4(7)8-5(9)10;1-2/h2H,1H3,(H2,7,8,10);1-2H3.
What are the key properties of 4-amino-5-chloro-1-methylpyrimidin-2-one;ethane?
4-amino-5-chloro-1-methylpyrimidin-2-one;ethane has a molecular weight of 189.65 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-1-methylpyrimidin-2-one;ethane is sourced from PubChem (CID 169190448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).