6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one

C11H17ClN2O2 — CID 103036360

IUPAC6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one
SMILESCOC(C)(C)CCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H17ClN2O2/c1-8-13-9(12)7-10(15)14(8)6-5-11(2,3)16-4/h7H,5-6H2,1-4H3
InChIKeyDUKAITRUIRKWAK-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.02
Rot. Bonds4

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

6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one (PubChem CID 103036360) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one
PubChem CID103036360
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one
SMILESCOC(C)(C)CCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H17ClN2O2/c1-8-13-9(12)7-10(15)14(8)6-5-11(2,3)16-4/h7H,5-6H2,1-4H3
InChIKeyDUKAITRUIRKWAK-UHFFFAOYSA-N
XLogP2.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Iodo-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one
CID 103036348
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-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036367
3-(3-Methoxy-3-methylbutyl)pyrimidin-4-one
CID 103037358
6-Chloro-3-[3-(2-methoxyethoxy)propyl]-2-methylpyrimidin-4-one
CID 103411723
6-Chloro-3-(3-methoxy-3-methylbutyl)-2-propan-2-ylpyrimidin-4-one
CID 113767545
6-Chloro-2-ethyl-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 113813156
6-Chloro-3-[3-(2-methoxyethoxy)propyl]-2-propan-2-ylpyrimidin-4-one
CID 113813157
6-Chloro-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
CID 114581587
6-Chloro-2-methyl-3-(2-methylbutyl)pyrimidin-4-one
CID 114581593
6-Chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one
CID 114581676

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one (CID 103036360) is 6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one is COC(C)(C)CCn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one?
The InChIKey is DUKAITRUIRKWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-8-13-9(12)7-10(15)14(8)6-5-11(2,3)16-4/h7H,5-6H2,1-4H3.
What are the key properties of 6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one?
6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one has a molecular weight of 244.72 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 103036360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).