4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane

C10H17ClN2O — CID 158824343

IUPAC4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane
SMILESCCC.CCc1nc(Cl)c(C)c(=O)[nH]1
InChIInChI=1S/C7H9ClN2O.C3H8/c1-3-5-9-6(8)4(2)7(11)10-5;1-3-2/h3H2,1-2H3,(H,9,10,11);3H2,1-2H3
InChIKeyIWGPLZFYKOHWND-UHFFFAOYSA-N
MW216.71 g/mol
LogP2.71
Rot. Bonds1

About 4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane

4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane (PubChem CID 158824343) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane
PubChem CID158824343
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane
SMILESCCC.CCc1nc(Cl)c(C)c(=O)[nH]1
InChIInChI=1S/C7H9ClN2O.C3H8/c1-3-5-9-6(8)4(2)7(11)10-5;1-3-2/h3H2,1-2H3,(H,9,10,11);3H2,1-2H3
InChIKeyIWGPLZFYKOHWND-UHFFFAOYSA-N
XLogP2.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-2,5-dimethylpyrimidin-4-ol
CID 135538365
4-Pyrimidinol, 6-amino-2,5-dimethyl-
CID 135592941
6-Chloro-2-(propan-2-yl)pyrimidin-4-ol
CID 136278171
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136076214
4-chloro-5-ethyl-2-propyl-1H-pyrimidin-3-ium-6-one chloride
CID 135006922
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-3-ium-6-one chloride
CID 135057265
4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one
CID 137277402
2-Ethyl-5,6-dimethylpyrimidin-4-ol
CID 135740331
4-(chloromethyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 135819047
4-chloro-2,5-diethyl-1H-pyrimidin-6-one
CID 136076215
6-Chloro-2-methyl-5-(1-methylethyl)-4-pyrimidinol
CID 136197566
2-tert-butyl-4-chloro-5-methyl-1H-pyrimidin-6-one
CID 136278023

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane?
The IUPAC name of 4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane (CID 158824343) is 4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane.
What is the SMILES notation for 4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane?
The canonical SMILES for 4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane is CCC.CCc1nc(Cl)c(C)c(=O)[nH]1.
What is the InChIKey of 4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane?
The InChIKey is IWGPLZFYKOHWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O.C3H8/c1-3-5-9-6(8)4(2)7(11)10-5;1-3-2/h3H2,1-2H3,(H,9,10,11);3H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane?
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane has a molecular weight of 216.71 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane is sourced from PubChem (CID 158824343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).