molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one

C7H12N2O — CID 145188431

IUPACmolecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nccc(=O)[nH]1.[H][H]
InChIInChI=1S/C7H10N2O.H2/c1-5(2)7-8-4-3-6(10)9-7;/h3-5H,1-2H3,(H,8,9,10);1H
InChIKeyBUJUTWMHSPDBBD-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.14
Rot. Bonds1

About molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one

molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 145188431) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Namemolecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID145188431
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Namemolecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nccc(=O)[nH]1.[H][H]
InChIInChI=1S/C7H10N2O.H2/c1-5(2)7-8-4-3-6(10)9-7;/h3-5H,1-2H3,(H,8,9,10);1H
InChIKeyBUJUTWMHSPDBBD-UHFFFAOYSA-N
XLogP1.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one (CID 145188431) is molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nccc(=O)[nH]1.[H][H].
What is the InChIKey of molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is BUJUTWMHSPDBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.H2/c1-5(2)7-8-4-3-6(10)9-7;/h3-5H,1-2H3,(H,8,9,10);1H.
What are the key properties of molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one?
molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 140.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 145188431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).