ethane;5-propan-2-yl-1H-pyrimidin-6-one

C9H16N2O — CID 142561621

IUPACethane;5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC.CC(C)c1cnc[nH]c1=O
InChIInChI=1S/C7H10N2O.C2H6/c1-5(2)6-3-8-4-9-7(6)10;1-2/h3-5H,1-2H3,(H,8,9,10);1-2H3
InChIKeyJVZQZZCAHRYQPM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.92
Rot. Bonds1

About ethane;5-propan-2-yl-1H-pyrimidin-6-one

ethane;5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 142561621) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID142561621
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethane;5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC.CC(C)c1cnc[nH]c1=O
InChIInChI=1S/C7H10N2O.C2H6/c1-5(2)6-3-8-4-9-7(6)10;1-2/h3-5H,1-2H3,(H,8,9,10);1-2H3
InChIKeyJVZQZZCAHRYQPM-UHFFFAOYSA-N
XLogP1.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of ethane;5-propan-2-yl-1H-pyrimidin-6-one (CID 142561621) is ethane;5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for ethane;5-propan-2-yl-1H-pyrimidin-6-one is CC.CC(C)c1cnc[nH]c1=O.
What is the InChIKey of ethane;5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JVZQZZCAHRYQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C2H6/c1-5(2)6-3-8-4-9-7(6)10;1-2/h3-5H,1-2H3,(H,8,9,10);1-2H3.
What are the key properties of ethane;5-propan-2-yl-1H-pyrimidin-6-one?
ethane;5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 168.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 142561621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).