2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione

C9H15N3O2 — CID 79502330

IUPAC2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
SMILESCC(CN)C1=NC(=O)C(C)(C)C(=O)N1
InChIInChI=1S/C9H15N3O2/c1-5(4-10)6-11-7(13)9(2,3)8(14)12-6/h5H,4,10H2,1-3H3,(H,11,12,13,14)
InChIKeyXZRYOKCYHGKOCC-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.34
Rot. Bonds2

About 2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione

2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione (PubChem CID 79502330) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
PubChem CID79502330
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
SMILESCC(CN)C1=NC(=O)C(C)(C)C(=O)N1
InChIInChI=1S/C9H15N3O2/c1-5(4-10)6-11-7(13)9(2,3)8(14)12-6/h5H,4,10H2,1-3H3,(H,11,12,13,14)
InChIKeyXZRYOKCYHGKOCC-UHFFFAOYSA-N
XLogP-0.34
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2-Aminoethyl)-5-fluoro-1,4,5,6-tetrahydropyrimidine-4,6-dione
CID 80550490
2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550516
2-(1-amino-2-methylpropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550695
5-fluoro-2-[2-(methylamino)ethyl]-1H-pyrimidine-4,6-dione
CID 80550862
2-(1-aminopropan-2-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80551007
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one
CID 21750207
2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 22898627
2-ethyl-1H-pyrimidine-4,6-dione
CID 23031994
2,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 55287748
2,5-diethyl-1H-pyrimidine-4,6-dione
CID 58730533
2-tert-butyl-1H-pyrimidine-4,6-dione
CID 58907282
2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one
CID 59765868

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione (CID 79502330) is 2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione is CC(CN)C1=NC(=O)C(C)(C)C(=O)N1.
What is the InChIKey of 2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
The InChIKey is XZRYOKCYHGKOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5(4-10)6-11-7(13)9(2,3)8(14)12-6/h5H,4,10H2,1-3H3,(H,11,12,13,14).
What are the key properties of 2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione has a molecular weight of 197.24 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79502330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).