4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one

C14H20N2O — CID 136934000

IUPAC4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1c(C2=CCCCC2)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C14H20N2O/c1-9(2)13-15-12(10(3)14(17)16-13)11-7-5-4-6-8-11/h7,9H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyKWABLAZXQXVRET-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.16
Rot. Bonds2

About 4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one

4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136934000) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136934000
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1c(C2=CCCCC2)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C14H20N2O/c1-9(2)13-15-12(10(3)14(17)16-13)11-7-5-4-6-8-11/h7,9H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyKWABLAZXQXVRET-UHFFFAOYSA-N
XLogP3.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 136934000) is 4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is Cc1c(C2=CCCCC2)nc(C(C)C)[nH]c1=O.
What is the InChIKey of 4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KWABLAZXQXVRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)13-15-12(10(3)14(17)16-13)11-7-5-4-6-8-11/h7,9H,4-6,8H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 232.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136934000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).