5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one

C7H10ClN3O2 — CID 114582718

IUPAC5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H10ClN3O2/c1-13-3-2-11-4-10-6(8)5(9)7(11)12/h4H,2-3,9H2,1H3
InChIKeySOAYFXZROAHFNO-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.13
Rot. Bonds3

About 5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one

5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one (PubChem CID 114582718) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one
PubChem CID114582718
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H10ClN3O2/c1-13-3-2-11-4-10-6(8)5(9)7(11)12/h4H,2-3,9H2,1H3
InChIKeySOAYFXZROAHFNO-UHFFFAOYSA-N
XLogP0.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114582847
5-Amino-6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114582866
3-(2-Methoxyethyl)-6-methyl-5-(methylideneamino)pyrimidin-4-one
CID 166650033
5-Amino-6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182131
5-Amino-6-chloro-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411726
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
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 113604288
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114582039
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 114582360
5-Amino-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
CID 114582454
5-Amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
CID 114582456

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one (CID 114582718) is 5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one is COCCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one?
The InChIKey is SOAYFXZROAHFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-13-3-2-11-4-10-6(8)5(9)7(11)12/h4H,2-3,9H2,1H3.
What are the key properties of 5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one has a molecular weight of 203.63 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(2-methoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 114582718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).