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

C10H17N3O2 — CID 76998372

IUPAC2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(C(C)CN)NC1=O
InChIInChI=1S/C10H17N3O2/c1-3-4-7-9(14)12-8(6(2)5-11)13-10(7)15/h6-7H,3-5,11H2,1-2H3,(H,12,13,14,15)
InChIKeyILFDDPPDAJXHQH-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.05
Rot. Bonds4

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

2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione (PubChem CID 76998372) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione
PubChem CID76998372
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(C(C)CN)NC1=O
InChIInChI=1S/C10H17N3O2/c1-3-4-7-9(14)12-8(6(2)5-11)13-10(7)15/h6-7H,3-5,11H2,1-2H3,(H,12,13,14,15)
InChIKeyILFDDPPDAJXHQH-UHFFFAOYSA-N
XLogP0.05
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.05
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione (CID 76998372) is 2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione is CCCC1C(=O)N=C(C(C)CN)NC1=O.
What is the InChIKey of 2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione?
The InChIKey is ILFDDPPDAJXHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-4-7-9(14)12-8(6(2)5-11)13-10(7)15/h6-7H,3-5,11H2,1-2H3,(H,12,13,14,15).
What are the key properties of 2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione?
2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione has a molecular weight of 211.26 g/mol, XLogP of 0.05, 4 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-propyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).