N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C10H14N4O3 — CID 55100584

IUPACN-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCNC1CC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H14N4O3/c15-8(12-4-3-11-6-1-2-6)7-5-13-10(17)14-9(7)16/h5-6,11H,1-4H2,(H,12,15)(H2,13,14,16,17)
InChIKeyAXIWXMWATMLPOB-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.46
Rot. Bonds5

About N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 55100584) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID55100584
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCNC1CC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H14N4O3/c15-8(12-4-3-11-6-1-2-6)7-5-13-10(17)14-9(7)16/h5-6,11H,1-4H2,(H,12,15)(H2,13,14,16,17)
InChIKeyAXIWXMWATMLPOB-UHFFFAOYSA-N
XLogP-1.46
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 55100584) is N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NCCNC1CC1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is AXIWXMWATMLPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-8(12-4-3-11-6-1-2-6)7-5-13-10(17)14-9(7)16/h5-6,11H,1-4H2,(H,12,15)(H2,13,14,16,17).
What are the key properties of N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 238.25 g/mol, XLogP of -1.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 55100584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).