6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one

C13H19ClN2O2 — CID 103036367

IUPAC6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C13H19ClN2O2/c1-13(2,18-3)6-7-16-11(17)8-10(14)15-12(16)9-4-5-9/h8-9H,4-7H2,1-3H3
InChIKeyWPEIROPAOCWCAF-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.59
Rot. Bonds5

About 6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one

6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (PubChem CID 103036367) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
PubChem CID103036367
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C13H19ClN2O2/c1-13(2,18-3)6-7-16-11(17)8-10(14)15-12(16)9-4-5-9/h8-9H,4-7H2,1-3H3
InChIKeyWPEIROPAOCWCAF-UHFFFAOYSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one
CID 103036360
6-Chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036361
6-Chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036366
6-Chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182144
6-Chloro-2-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411731
6-Chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455830
6-Chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455831
6-Chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one
CID 106930432
6-Chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one
CID 106930434
6-Chloro-2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
CID 113604540
4-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
CID 113604551
6-Chloro-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one
CID 113604552

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (CID 103036367) is 6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is COC(C)(C)CCn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The InChIKey is WPEIROPAOCWCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,18-3)6-7-16-11(17)8-10(14)15-12(16)9-4-5-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one has a molecular weight of 270.76 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is sourced from PubChem (CID 103036367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).