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

C8H12ClN3O2 — CID 114582562

IUPAC5-amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
SMILESCOCC(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H12ClN3O2/c1-5(3-14-2)12-4-11-7(9)6(10)8(12)13/h4-5H,3,10H2,1-2H3
InChIKeyJPINCEQKXIOROW-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.69
Rot. Bonds3

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

5-amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one (PubChem CID 114582562) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
PubChem CID114582562
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name5-amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
SMILESCOCC(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H12ClN3O2/c1-5(3-14-2)12-4-11-7(9)6(10)8(12)13/h4-5H,3,10H2,1-2H3
InChIKeyJPINCEQKXIOROW-UHFFFAOYSA-N
XLogP0.69
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.69
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
5-Amino-6-chloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137207
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
6-Chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
CID 114582124
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 114582360

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one (CID 114582562) is 5-amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one is COCC(C)n1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The InChIKey is JPINCEQKXIOROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-5(3-14-2)12-4-11-7(9)6(10)8(12)13/h4-5H,3,10H2,1-2H3.
What are the key properties of 5-amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
5-amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one has a molecular weight of 217.66 g/mol, XLogP of 0.69, 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-(1-methoxypropan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 114582562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).