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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-propylacetamide
CID 2149960
3-Isobutyl-6-methyluracil
CID 103331
1-Isobutyl-6-methyl-uracil
CID 13613065
6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione
CID 67562026
6-Tert-butyl-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 121206617
6-[2-(Diethyl-amino)ethyl]uracil hydrochloride
CID 129756458
6-(Propan-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239168
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide
CID 60704693
6-Methyl-3-propan-2-yl-1,2-dihydropyrimidin-4-one
CID 20430867
6-Ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione
CID 21331378
3-cyclohexyl-6-propan-2-yl-1H-pyrimidine-2,4-dione
CID 21531918
3-butyl-6-propyl-1H-pyrimidine-2,4-dione
CID 22075422

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).