6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one

C13H21ClN2O2 — CID 114584806

IUPAC6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nc(Cl)cc(=O)n1CCOC(C)(C)C
InChIInChI=1S/C13H21ClN2O2/c1-9(2)12-15-10(14)8-11(17)16(12)6-7-18-13(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyYHHYXXRNVPNBNC-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.84
Rot. Bonds4

About 6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one

6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one (PubChem CID 114584806) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one
PubChem CID114584806
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nc(Cl)cc(=O)n1CCOC(C)(C)C
InChIInChI=1S/C13H21ClN2O2/c1-9(2)12-15-10(14)8-11(17)16(12)6-7-18-13(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyYHHYXXRNVPNBNC-UHFFFAOYSA-N
XLogP2.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 114584888
6-chloro-3-(4,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one
CID 114210085
3-(2-butoxyethyl)-6-chloro-2-propan-2-ylpyrimidin-4-one
CID 114584828
6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one
CID 114584956
6-chloro-3-(5-hydroxypentyl)-2-propan-2-ylpyrimidin-4-one
CID 114584966
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114585015
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-methylpropanamide
CID 114585014
6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one
CID 114584819
6-chloro-2-propan-2-yl-3-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-one
CID 114584954
6-chloro-3-[2-(2-oxo-1-pyridinyl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 114584994
6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 103013478
6-chloro-2-propan-2-yl-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114584884

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one (CID 114584806) is 6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one is CC(C)c1nc(Cl)cc(=O)n1CCOC(C)(C)C.
What is the InChIKey of 6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one?
The InChIKey is YHHYXXRNVPNBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-9(2)12-15-10(14)8-11(17)16(12)6-7-18-13(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one?
6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one has a molecular weight of 272.78 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 114584806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).