6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione

C10H17N3O3 — CID 82943721

IUPAC6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione
SMILESCCCOCCCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O3/c1-2-5-16-6-3-4-13-8(11)7-9(14)12-10(13)15/h7H,2-6,11H2,1H3,(H,12,14,15)
InChIKeyJRYHWFAOGLPNKR-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.06
Rot. Bonds6

About 6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione

6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione (PubChem CID 82943721) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione
PubChem CID82943721
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione
SMILESCCCOCCCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O3/c1-2-5-16-6-3-4-13-8(11)7-9(14)12-10(13)15/h7H,2-6,11H2,1H3,(H,12,14,15)
InChIKeyJRYHWFAOGLPNKR-UHFFFAOYSA-N
XLogP-0.06
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione (CID 82943721) is 6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione is CCCOCCCn1c(N)cc(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione?
The InChIKey is JRYHWFAOGLPNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-2-5-16-6-3-4-13-8(11)7-9(14)12-10(13)15/h7H,2-6,11H2,1H3,(H,12,14,15).
What are the key properties of 6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione?
6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione has a molecular weight of 227.26 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 82943721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).