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

C10H15ClN2O2 — CID 103036361

IUPAC6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H15ClN2O2/c1-10(2,15-3)4-5-13-7-12-8(11)6-9(13)14/h6-7H,4-5H2,1-3H3
InChIKeyZIZGPRCLUJHJJA-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.71
Rot. Bonds4

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

6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (PubChem CID 103036361) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
PubChem CID103036361
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H15ClN2O2/c1-10(2,15-3)4-5-13-7-12-8(11)6-9(13)14/h6-7H,4-5H2,1-3H3
InChIKeyZIZGPRCLUJHJJA-UHFFFAOYSA-N
XLogP1.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dichloro-3-(3-methoxypropyl)-4(3h)-pyrimidinone
CID 118483138
2,6-Dichloro-3-(1-methoxypropyl)pyrimidin-4-one
CID 118484035
6-Chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one
CID 103036360
5,6-Dichloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036363
5-Bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036364
6-Chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036365
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]pyrimidin-4-one
CID 103411725
6-Chloro-3-(2-methylpropyl)pyrimidin-4-one
CID 112547284
6-Chloro-3-(3-methoxy-3-methylbutyl)-2-propan-2-ylpyrimidin-4-one
CID 113767545

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (CID 103036361) is 6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is COC(C)(C)CCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The InChIKey is ZIZGPRCLUJHJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-10(2,15-3)4-5-13-7-12-8(11)6-9(13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one has a molecular weight of 230.69 g/mol, XLogP of 1.71, 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)pyrimidin-4-one is sourced from PubChem (CID 103036361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).