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

C10H13ClN4O3 — CID 114582632

IUPAC5-amino-6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC(=O)N2CCOCC2)c1=O
InChIInChI=1S/C10H13ClN4O3/c11-9-8(12)10(17)15(6-13-9)5-7(16)14-1-3-18-4-2-14/h6H,1-5,12H2
InChIKeyMXPONNDKOLGPFG-UHFFFAOYSA-N
MW272.69 g/mol
LogP-0.66
Rot. Bonds2

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

5-amino-6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (PubChem CID 114582632) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
PubChem CID114582632
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name5-amino-6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC(=O)N2CCOCC2)c1=O
InChIInChI=1S/C10H13ClN4O3/c11-9-8(12)10(17)15(6-13-9)5-7(16)14-1-3-18-4-2-14/h6H,1-5,12H2
InChIKeyMXPONNDKOLGPFG-UHFFFAOYSA-N
XLogP-0.66
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-6-chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114582847
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-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455820
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
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-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 113604323
6-Chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 114582194
6-Chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
CID 114582378
5-Amino-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
CID 114582454

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (CID 114582632) is 5-amino-6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one is Nc1c(Cl)ncn(CC(=O)N2CCOCC2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The InChIKey is MXPONNDKOLGPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c11-9-8(12)10(17)15(6-13-9)5-7(16)14-1-3-18-4-2-14/h6H,1-5,12H2.
What are the key properties of 5-amino-6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one has a molecular weight of 272.69 g/mol, XLogP of -0.66, 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-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one is sourced from PubChem (CID 114582632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).