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

C10H18N2O — CID 23529110

IUPAC3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one
SMILESCC(C)C1C=CNC(=O)N1C(C)C
InChIInChI=1S/C10H18N2O/c1-7(2)9-5-6-11-10(13)12(9)8(3)4/h5-9H,1-4H3,(H,11,13)
InChIKeyGBYKCFBIFAYFNA-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.96
Rot. Bonds2

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

3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one (PubChem CID 23529110) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one
PubChem CID23529110
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one
SMILESCC(C)C1C=CNC(=O)N1C(C)C
InChIInChI=1S/C10H18N2O/c1-7(2)9-5-6-11-10(13)12(9)8(3)4/h5-9H,1-4H3,(H,11,13)
InChIKeyGBYKCFBIFAYFNA-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1,3-dipropyl-4H-pyrimidin-2-one
CID 21954004
3-propan-2-yl-4,5-dihydro-1H-1,3-diazepin-2-one
CID 59555026
4-But-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium
CID 59979656
1,3-Diethyl-4-methyl-1,4-dihydropyrimidin-1-ium-2-one chloride
CID 69539912
4-Methyl-1,3-dipropyl-1,4-dihydropyrimidin-1-ium-2-one chloride
CID 69539988
3,4-di(propan-2-yl)-1H-imidazol-2-one
CID 81446530
3,4-Dipentyl-1,4-dihydropyrimidin-2-one
CID 117872399
N-[2-[di(propan-2-yl)amino]ethyl]-3,4-dihydro-2H-pyridine-1-carboxamide
CID 140103539
3,4-Dimethyl-1,4-dihydropyrimidin-2-one
CID 142859674
6-Methyl-3-propan-2-yl-1,6-dihydropyrimidin-2-one
CID 155707564
6-Amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one
CID 164758401
4-Methylidene-1,5-di(propan-2-yl)pyrimidin-2-one
CID 169872140

Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one?
The IUPAC name of 3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one (CID 23529110) is 3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one is CC(C)C1C=CNC(=O)N1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one?
The InChIKey is GBYKCFBIFAYFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)9-5-6-11-10(13)12(9)8(3)4/h5-9H,1-4H3,(H,11,13).
What are the key properties of 3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one?
3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one has a molecular weight of 182.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 23529110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).