3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one

C13H24N2O — CID 134427565

IUPAC3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one
SMILESCC(C)C1=C(C(C)C)C(=O)N(C(C)C)CN1
InChIInChI=1S/C13H24N2O/c1-8(2)11-12(9(3)4)14-7-15(10(5)6)13(11)16/h8-10,14H,7H2,1-6H3
InChIKeyVDYCPFVZSQOAAJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.35
Rot. Bonds3

About 3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one

3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one (PubChem CID 134427565) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one.

Molecular Properties

Compound Name3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one
PubChem CID134427565
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one
SMILESCC(C)C1=C(C(C)C)C(=O)N(C(C)C)CN1
InChIInChI=1S/C13H24N2O/c1-8(2)11-12(9(3)4)14-7-15(10(5)6)13(11)16/h8-10,14H,7H2,1-6H3
InChIKeyVDYCPFVZSQOAAJ-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one?
The IUPAC name of 3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one (CID 134427565) is 3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one.
What is the SMILES notation for 3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one?
The canonical SMILES for 3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one is CC(C)C1=C(C(C)C)C(=O)N(C(C)C)CN1.
What is the InChIKey of 3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one?
The InChIKey is VDYCPFVZSQOAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-8(2)11-12(9(3)4)14-7-15(10(5)6)13(11)16/h8-10,14H,7H2,1-6H3.
What are the key properties of 3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one?
3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one has a molecular weight of 224.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-tri(propan-2-yl)-1,2-dihydropyrimidin-4-one is sourced from PubChem (CID 134427565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).