2-butyl-1H-pyrimidin-6-one

C8H12N2O — CID 10511035

IUPAC2-butyl-1H-pyrimidin-6-one
SMILESCCCCc1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O/c1-2-3-4-7-9-6-5-8(11)10-7/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyBVAGDAFSWAHBDZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.11
Rot. Bonds3

About 2-butyl-1H-pyrimidin-6-one

2-butyl-1H-pyrimidin-6-one (PubChem CID 10511035) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-butyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butyl-1H-pyrimidin-6-one
PubChem CID10511035
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-butyl-1H-pyrimidin-6-one
SMILESCCCCc1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O/c1-2-3-4-7-9-6-5-8(11)10-7/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyBVAGDAFSWAHBDZ-UHFFFAOYSA-N
XLogP1.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1H-pyrimidin-6-one?
The IUPAC name of 2-butyl-1H-pyrimidin-6-one (CID 10511035) is 2-butyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-butyl-1H-pyrimidin-6-one is CCCCc1nccc(=O)[nH]1.
What is the InChIKey of 2-butyl-1H-pyrimidin-6-one?
The InChIKey is BVAGDAFSWAHBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-3-4-7-9-6-5-8(11)10-7/h5-6H,2-4H2,1H3,(H,9,10,11).
What are the key properties of 2-butyl-1H-pyrimidin-6-one?
2-butyl-1H-pyrimidin-6-one has a molecular weight of 152.20 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1H-pyrimidin-6-one is sourced from PubChem (CID 10511035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).