4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one

C7H10ClN3O — CID 167120999

IUPAC4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one
SMILESCC(C)n1cc(Cl)c(N)nc1=O
InChIInChI=1S/C7H10ClN3O/c1-4(2)11-3-5(8)6(9)10-7(11)12/h3-4H,1-2H3,(H2,9,10,12)
InChIKeyVRPXBJYYKXKDHO-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.06
Rot. Bonds1

About 4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one

4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one (PubChem CID 167120999) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one
PubChem CID167120999
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one
SMILESCC(C)n1cc(Cl)c(N)nc1=O
InChIInChI=1S/C7H10ClN3O/c1-4(2)11-3-5(8)6(9)10-7(11)12/h3-4H,1-2H3,(H2,9,10,12)
InChIKeyVRPXBJYYKXKDHO-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 4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one?
The IUPAC name of 4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one (CID 167120999) is 4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one.
What is the SMILES notation for 4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one?
The canonical SMILES for 4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one is CC(C)n1cc(Cl)c(N)nc1=O.
What is the InChIKey of 4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one?
The InChIKey is VRPXBJYYKXKDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-4(2)11-3-5(8)6(9)10-7(11)12/h3-4H,1-2H3,(H2,9,10,12).
What are the key properties of 4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one?
4-amino-5-chloro-1-propan-2-ylpyrimidin-2-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 4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one is sourced from PubChem (CID 167120999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).