5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one

C8H12N2O — CID 14746490

IUPAC5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one
SMILESCC[C@H](C)c1cnc(=O)[nH]c1
InChIInChI=1S/C8H12N2O/c1-3-6(2)7-4-9-8(11)10-5-7/h4-6H,3H2,1-2H3,(H,9,10,11)/t6-/m0/s1
InChIKeyRVGMWNNRDHCHHO-LURJTMIESA-N
MW152.20 g/mol
LogP1.28
Rot. Bonds2

About 5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one

5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one (PubChem CID 14746490) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one
PubChem CID14746490
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one
SMILESCC[C@H](C)c1cnc(=O)[nH]c1
InChIInChI=1S/C8H12N2O/c1-3-6(2)7-4-9-8(11)10-5-7/h4-6H,3H2,1-2H3,(H,9,10,11)/t6-/m0/s1
InChIKeyRVGMWNNRDHCHHO-LURJTMIESA-N
XLogP1.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one (CID 14746490) is 5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one is CC[C@H](C)c1cnc(=O)[nH]c1.
What is the InChIKey of 5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one?
The InChIKey is RVGMWNNRDHCHHO-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-6(2)7-4-9-8(11)10-5-7/h4-6H,3H2,1-2H3,(H,9,10,11)/t6-/m0/s1.
What are the key properties of 5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one?
5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-butan-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 14746490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).