5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one

C7H10ClN3O — CID 114582683

IUPAC5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H10ClN3O/c1-4(2)11-3-10-6(8)5(9)7(11)12/h3-4H,9H2,1-2H3
InChIKeyIYALVEKGBGYSHJ-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.06
Rot. Bonds1

About 5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one

5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one (PubChem CID 114582683) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one
PubChem CID114582683
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H10ClN3O/c1-4(2)11-3-10-6(8)5(9)7(11)12/h3-4H,9H2,1-2H3
InChIKeyIYALVEKGBGYSHJ-UHFFFAOYSA-N
XLogP1.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one (CID 114582683) is 5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one is CC(C)n1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one?
The InChIKey is IYALVEKGBGYSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-4(2)11-3-10-6(8)5(9)7(11)12/h3-4H,9H2,1-2H3.
What are the key properties of 5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one?
5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one has a molecular weight of 187.63 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 114582683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).