6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one

C12H16ClN3O3 — CID 114581886

IUPAC6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H16ClN3O3/c1-8(12(18)15-3-5-19-6-4-15)16-9(2)14-10(13)7-11(16)17/h7-8H,3-6H2,1-2H3
InChIKeyZVPHNWCSCQIWPZ-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.62
Rot. Bonds2

About 6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one

6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one (PubChem CID 114581886) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
PubChem CID114581886
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H16ClN3O3/c1-8(12(18)15-3-5-19-6-4-15)16-9(2)14-10(13)7-11(16)17/h7-8H,3-6H2,1-2H3
InChIKeyZVPHNWCSCQIWPZ-UHFFFAOYSA-N
XLogP0.62
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one (CID 114581886) is 6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1C(C)C(=O)N1CCOCC1.
What is the InChIKey of 6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one?
The InChIKey is ZVPHNWCSCQIWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-8(12(18)15-3-5-19-6-4-15)16-9(2)14-10(13)7-11(16)17/h7-8H,3-6H2,1-2H3.
What are the key properties of 6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one?
6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one has a molecular weight of 285.73 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 114581886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).