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

C11H15ClN4O3 — CID 114582757

IUPAC5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
SMILESCC(C(=O)N1CCOCC1)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C11H15ClN4O3/c1-7(10(17)15-2-4-19-5-3-15)16-6-14-9(12)8(13)11(16)18/h6-7H,2-5,13H2,1H3
InChIKeyYYQHSSJQSXYZLI-UHFFFAOYSA-N
MW286.72 g/mol
LogP-0.10
Rot. Bonds2

About 5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one

5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one (PubChem CID 114582757) has the molecular formula C11H15ClN4O3 and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
PubChem CID114582757
Molecular FormulaC11H15ClN4O3
Molecular Weight286.72 g/mol
Exact Mass286.08
IUPAC Name5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
SMILESCC(C(=O)N1CCOCC1)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C11H15ClN4O3/c1-7(10(17)15-2-4-19-5-3-15)16-6-14-9(12)8(13)11(16)18/h6-7H,2-5,13H2,1H3
InChIKeyYYQHSSJQSXYZLI-UHFFFAOYSA-N
XLogP-0.10
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-morpholin-4-yl-1H-pyrimidin-6-one
CID 136393190
5-Amino-6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182131
5-Amino-6-chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455821
5-Amino-6-chloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137207
6-Chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
CID 113604227
5-Amino-6-chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604255
5-Amino-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 113604265
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 113604288
5,6-Dichloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
CID 113604343
5-Bromo-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
CID 113604401
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114582478
5-Amino-3-(2-butoxyethyl)-6-chloropyrimidin-4-one
CID 114582486

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one (CID 114582757) is 5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one is CC(C(=O)N1CCOCC1)n1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one?
The InChIKey is YYQHSSJQSXYZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3/c1-7(10(17)15-2-4-19-5-3-15)16-6-14-9(12)8(13)11(16)18/h6-7H,2-5,13H2,1H3.
What are the key properties of 5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one?
5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one has a molecular weight of 286.72 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 114582757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).