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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Related Compounds

6-chloro-5-methoxy-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114585446
5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583459
5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136903
5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64535130
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64533566
1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride
CID 82913357
3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid
CID 102604816
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde
CID 66407258
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-3-amine
CID 64535535
2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 103428431
2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 64534558
5,6-dichloro-3-(2-methylpentyl)pyrimidin-4-one
CID 114582971

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).