2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one

C10H19N3O — CID 166497205

IUPAC2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one
SMILESCC(C)C1=CN(C(C)C)C(N)NC1=O
InChIInChI=1S/C10H19N3O/c1-6(2)8-5-13(7(3)4)10(11)12-9(8)14/h5-7,10H,11H2,1-4H3,(H,12,14)
InChIKeyNOTRDJVEZGBDAF-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.61
Rot. Bonds2

About 2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one

2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one (PubChem CID 166497205) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one
PubChem CID166497205
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one
SMILESCC(C)C1=CN(C(C)C)C(N)NC1=O
InChIInChI=1S/C10H19N3O/c1-6(2)8-5-13(7(3)4)10(11)12-9(8)14/h5-7,10H,11H2,1-4H3,(H,12,14)
InChIKeyNOTRDJVEZGBDAF-UHFFFAOYSA-N
XLogP0.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol
CID 166697365
2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one
CID 129060672
2-hydroxy-3-propan-2-yl-1,2-dihydroimidazole-5-carboxamide
CID 162487765
3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one
CID 163815026
2-hydroxy-1-methyl-4-propan-2-yl-2H-pyrrol-5-one
CID 135170663
2-hydroxy-3,5-dimethyl-1,2-dihydropyrimidin-6-one
CID 22117647
(6Z)-3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
CID 146683461
3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
CID 163182640
5-methyl-6-(methylamino)-3-propan-2-yl-1,6-dihydropyrimidin-2-one
CID 118593649
3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
CID 163645957
2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one
CID 170239987
2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 166057446

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one?
The IUPAC name of 2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one (CID 166497205) is 2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one is CC(C)C1=CN(C(C)C)C(N)NC1=O.
What is the InChIKey of 2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one?
The InChIKey is NOTRDJVEZGBDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-6(2)8-5-13(7(3)4)10(11)12-9(8)14/h5-7,10H,11H2,1-4H3,(H,12,14).
What are the key properties of 2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one?
2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one has a molecular weight of 197.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-di(propan-2-yl)-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 166497205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).