pentyl 4-amino-2-oxopyrimidine-1-carboxylate

C10H15N3O3 — CID 142683522

IUPACpentyl 4-amino-2-oxopyrimidine-1-carboxylate
SMILESCCCCCOC(=O)n1ccc(N)nc1=O
InChIInChI=1S/C10H15N3O3/c1-2-3-4-7-16-10(15)13-6-5-8(11)12-9(13)14/h5-6H,2-4,7H2,1H3,(H2,11,12,14)
InChIKeyQTZRIZOYRDFDRK-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.00
Rot. Bonds4

About pentyl 4-amino-2-oxopyrimidine-1-carboxylate

pentyl 4-amino-2-oxopyrimidine-1-carboxylate (PubChem CID 142683522) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is pentyl 4-amino-2-oxopyrimidine-1-carboxylate.

Molecular Properties

Compound Namepentyl 4-amino-2-oxopyrimidine-1-carboxylate
PubChem CID142683522
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namepentyl 4-amino-2-oxopyrimidine-1-carboxylate
SMILESCCCCCOC(=O)n1ccc(N)nc1=O
InChIInChI=1S/C10H15N3O3/c1-2-3-4-7-16-10(15)13-6-5-8(11)12-9(13)14/h5-6H,2-4,7H2,1H3,(H2,11,12,14)
InChIKeyQTZRIZOYRDFDRK-UHFFFAOYSA-N
XLogP1.00
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 pentyl 4-amino-2-oxopyrimidine-1-carboxylate?
The IUPAC name of pentyl 4-amino-2-oxopyrimidine-1-carboxylate (CID 142683522) is pentyl 4-amino-2-oxopyrimidine-1-carboxylate.
What is the SMILES notation for pentyl 4-amino-2-oxopyrimidine-1-carboxylate?
The canonical SMILES for pentyl 4-amino-2-oxopyrimidine-1-carboxylate is CCCCCOC(=O)n1ccc(N)nc1=O.
What is the InChIKey of pentyl 4-amino-2-oxopyrimidine-1-carboxylate?
The InChIKey is QTZRIZOYRDFDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-4-7-16-10(15)13-6-5-8(11)12-9(13)14/h5-6H,2-4,7H2,1H3,(H2,11,12,14).
What are the key properties of pentyl 4-amino-2-oxopyrimidine-1-carboxylate?
pentyl 4-amino-2-oxopyrimidine-1-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-amino-2-oxopyrimidine-1-carboxylate is sourced from PubChem (CID 142683522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).