4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one

C11H15N3O3 — CID 137050055

IUPAC4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one
SMILESCC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-8(15)6-9-12-10(7-11(16)13-9)14-2-4-17-5-3-14/h7H,2-6H2,1H3,(H,12,13,16)
InChIKeyLUHKGRPJYAVPOG-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.26
Rot. Bonds3

About 4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one

4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one (PubChem CID 137050055) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one
PubChem CID137050055
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one
SMILESCC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-8(15)6-9-12-10(7-11(16)13-9)14-2-4-17-5-3-14/h7H,2-6H2,1H3,(H,12,13,16)
InChIKeyLUHKGRPJYAVPOG-UHFFFAOYSA-N
XLogP-0.26
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetate
CID 135905419
(+/-)-[4-(2-Fluoromethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid ethyl ester
CID 136378682
5-fluoro-4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one
CID 144427800
4-Hydroxy-2-methyl-6-morpholinopyrimidine
CID 135592113
2-(4-Morpholino-6-oxo-1,6-dihydropyrimidin-2-yl)acetic acid
CID 135905420
Sodium (4-morpholin-4-yl-6-oxo-1,6-dihydropyrimidin-2-yl)acetate
CID 136041844
Lithium [4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetate
CID 136041845
[4-(2-Methylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid ethyl ester
CID 136238744
Sodium 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]propanoate
CID 136352188
[4-(2-Methylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid
CID 136378672
[4-(2-Ethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid ethyl ester
CID 136378675
[4-(2-Ethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid
CID 136378676

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one (CID 137050055) is 4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one is CC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one?
The InChIKey is LUHKGRPJYAVPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(15)6-9-12-10(7-11(16)13-9)14-2-4-17-5-3-14/h7H,2-6H2,1H3,(H,12,13,16).
What are the key properties of 4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one?
4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one has a molecular weight of 237.26 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-(2-oxopropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137050055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).