6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one

C11H20N2O — CID 170954220

IUPAC6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCC(C)C1=C(C(C)C)CNC(=O)N1
InChIInChI=1S/C11H20N2O/c1-5-8(4)10-9(7(2)3)6-12-11(14)13-10/h7-8H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyJQPOTZRHVTVNBN-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.26
Rot. Bonds3

About 6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one

6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 170954220) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID170954220
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCC(C)C1=C(C(C)C)CNC(=O)N1
InChIInChI=1S/C11H20N2O/c1-5-8(4)10-9(7(2)3)6-12-11(14)13-10/h7-8H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyJQPOTZRHVTVNBN-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one (CID 170954220) is 6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one is CCC(C)C1=C(C(C)C)CNC(=O)N1.
What is the InChIKey of 6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is JQPOTZRHVTVNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-8(4)10-9(7(2)3)6-12-11(14)13-10/h7-8H,5-6H2,1-4H3,(H2,12,13,14).
What are the key properties of 6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 170954220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).