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

C10H16N2O2 — CID 103037358

IUPAC3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cnccc1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,14-3)5-7-12-8-11-6-4-9(12)13/h4,6,8H,5,7H2,1-3H3
InChIKeyCIJOFUZXDIHFGC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.06
Rot. Bonds4

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

3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (PubChem CID 103037358) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
PubChem CID103037358
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cnccc1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,14-3)5-7-12-8-11-6-4-9(12)13/h4,6,8H,5,7H2,1-3H3
InChIKeyCIJOFUZXDIHFGC-UHFFFAOYSA-N
XLogP1.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Hydroxy-3-methylbutyl)pyrimidin-4-one
CID 79360231
5-Bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036343
5-Iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036346
5-Iodo-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one
CID 103036348
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
2-Methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one
CID 103037341
3-[3-(2-Methoxyethoxy)propyl]pyrimidin-4-one
CID 103413342
3-(3-Methylbutyl)pyrimidin-4-one
CID 115679439
3-Butylpyrimidin-4-one
CID 115679478
3-(3-Ethoxypropyl)pyrimidin-4-one
CID 115696907
3-(2-Methylbutyl)pyrimidin-4-one
CID 115696930

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The IUPAC name of 3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (CID 103037358) is 3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is COC(C)(C)CCn1cnccc1=O.
What is the InChIKey of 3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The InChIKey is CIJOFUZXDIHFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,14-3)5-7-12-8-11-6-4-9(12)13/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
3-(3-methoxy-3-methylbutyl)pyrimidin-4-one has a molecular weight of 196.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is sourced from PubChem (CID 103037358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).