5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one

C9H12Cl2N2O2 — CID 114583192

IUPAC5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one
SMILESCOCCC(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O2/c1-6(3-4-15-2)13-5-12-8(11)7(10)9(13)14/h5-6H,3-4H2,1-2H3
InChIKeyXURPVVWWQYNDFP-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.15
Rot. Bonds4

About 5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one

5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one (PubChem CID 114583192) has the molecular formula C9H12Cl2N2O2 and a molecular weight of 251.11 g/mol. Its IUPAC name is 5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one
PubChem CID114583192
Molecular FormulaC9H12Cl2N2O2
Molecular Weight251.11 g/mol
Exact Mass250.03
IUPAC Name5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one
SMILESCOCCC(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O2/c1-6(3-4-15-2)13-5-12-8(11)7(10)9(13)14/h5-6H,3-4H2,1-2H3
InChIKeyXURPVVWWQYNDFP-UHFFFAOYSA-N
XLogP2.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 113604310
2,6-Dichloro-3-(3-methoxypropyl)-4(3h)-pyrimidinone
CID 118483138
5,6-Dichloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036363
5,6-Dichloro-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411727
5,6-Dichloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455823
5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
6-Chloro-3-(3-methoxypropyl)pyrimidin-4-one
CID 114582155
6-Chloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one
CID 114582335
5-Amino-6-chloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one
CID 114582766
3-(2-Butoxyethyl)-5,6-dichloropyrimidin-4-one
CID 114582916
5,6-Dichloro-3-(oxolan-3-yl)pyrimidin-4-one
CID 114582937
5,6-Dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
CID 114582991

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one (CID 114583192) is 5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one is COCCC(C)n1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one?
The InChIKey is XURPVVWWQYNDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2/c1-6(3-4-15-2)13-5-12-8(11)7(10)9(13)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one?
5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one has a molecular weight of 251.11 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 114583192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).