2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one

C7H13N3O — CID 50998320

IUPAC2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC(C)C1CC(=O)NC(N)=N1
InChIInChI=1S/C7H13N3O/c1-4(2)5-3-6(11)10-7(8)9-5/h4-5H,3H2,1-2H3,(H3,8,9,10,11)
InChIKeyHZGKZWQCPMEJKU-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.15
Rot. Bonds1

About 2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one

2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 50998320) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID50998320
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC(C)C1CC(=O)NC(N)=N1
InChIInChI=1S/C7H13N3O/c1-4(2)5-3-6(11)10-7(8)9-5/h4-5H,3H2,1-2H3,(H3,8,9,10,11)
InChIKeyHZGKZWQCPMEJKU-UHFFFAOYSA-N
XLogP-0.15
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one
CID 22426110
4-methoxy-3-propan-2-ylpiperidine-2,6-dione
CID 167008611
2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 69070989
4-(propan-2-ylamino)piperidine-2,6-dione
CID 147521097
5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
CID 66107845
4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione
CID 169028206
6-propan-2-yloxazinan-3-one
CID 142623105
(5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one
CID 167119865
2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid
CID 141090724
4-propan-2-ylpyrrolidin-2-one
CID 20976007
ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 166441654
3-(2-methylpropanoyl)pyrrolidine-2,5-dione
CID 68572615

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one (CID 50998320) is 2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one is CC(C)C1CC(=O)NC(N)=N1.
What is the InChIKey of 2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is HZGKZWQCPMEJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4(2)5-3-6(11)10-7(8)9-5/h4-5H,3H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 155.20 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 50998320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).