5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one

C12H17Cl2N3O2 — CID 114583244

IUPAC5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCC(C)N1CCOC(Cn2cnc(Cl)c(Cl)c2=O)C1
InChIInChI=1S/C12H17Cl2N3O2/c1-8(2)16-3-4-19-9(5-16)6-17-7-15-11(14)10(13)12(17)18/h7-9H,3-6H2,1-2H3
InChIKeyLYILXXOPZFAARV-UHFFFAOYSA-N
MW306.19 g/mol
LogP1.66
Rot. Bonds3

About 5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one

5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one (PubChem CID 114583244) has the molecular formula C12H17Cl2N3O2 and a molecular weight of 306.19 g/mol. Its IUPAC name is 5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
PubChem CID114583244
Molecular FormulaC12H17Cl2N3O2
Molecular Weight306.19 g/mol
Exact Mass305.07
IUPAC Name5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCC(C)N1CCOC(Cn2cnc(Cl)c(Cl)c2=O)C1
InChIInChI=1S/C12H17Cl2N3O2/c1-8(2)16-3-4-19-9(5-16)6-17-7-15-11(14)10(13)12(17)18/h7-9H,3-6H2,1-2H3
InChIKeyLYILXXOPZFAARV-UHFFFAOYSA-N
XLogP1.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one (CID 114583244) is 5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one is CC(C)N1CCOC(Cn2cnc(Cl)c(Cl)c2=O)C1.
What is the InChIKey of 5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is LYILXXOPZFAARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O2/c1-8(2)16-3-4-19-9(5-16)6-17-7-15-11(14)10(13)12(17)18/h7-9H,3-6H2,1-2H3.
What are the key properties of 5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 306.19 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114583244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).