3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one

C10H18N2O — CID 140891182

IUPAC3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one
SMILESCC(C)C1=CC(=O)N(C(C)C)CN1
InChIInChI=1S/C10H18N2O/c1-7(2)9-5-10(13)12(6-11-9)8(3)4/h5,7-8,11H,6H2,1-4H3
InChIKeyKVYDNUVNYOLVJS-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.32
Rot. Bonds2

About 3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one

3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one (PubChem CID 140891182) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one
PubChem CID140891182
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one
SMILESCC(C)C1=CC(=O)N(C(C)C)CN1
InChIInChI=1S/C10H18N2O/c1-7(2)9-5-10(13)12(6-11-9)8(3)4/h5,7-8,11H,6H2,1-4H3
InChIKeyKVYDNUVNYOLVJS-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one?
The IUPAC name of 3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one (CID 140891182) is 3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one.
What is the SMILES notation for 3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one?
The canonical SMILES for 3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one is CC(C)C1=CC(=O)N(C(C)C)CN1.
What is the InChIKey of 3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one?
The InChIKey is KVYDNUVNYOLVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)9-5-10(13)12(6-11-9)8(3)4/h5,7-8,11H,6H2,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one?
3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one has a molecular weight of 182.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one is sourced from PubChem (CID 140891182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).