6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C10H14N4O3 — CID 62062323

IUPAC6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESNCC1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C10H14N4O3/c11-4-6-1-2-14(5-6)9(16)7-3-8(15)13-10(17)12-7/h3,6H,1-2,4-5,11H2,(H2,12,13,15,17)
InChIKeyWYQQAWUZPYDXHI-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.52
Rot. Bonds2

About 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 62062323) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID62062323
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESNCC1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C10H14N4O3/c11-4-6-1-2-14(5-6)9(16)7-3-8(15)13-10(17)12-7/h3,6H,1-2,4-5,11H2,(H2,12,13,15,17)
InChIKeyWYQQAWUZPYDXHI-UHFFFAOYSA-N
XLogP-1.52
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{1-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]pyrrolidin-3-yl}acetamide
CID 91838023
5-(pyrrolidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 17275048
n-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 236624
(Z)-3-n-Butyl-5-ethylidene-2,4-imidazolidinedione
CID 12767212
3-Butyl-5-ethylideneimidazolidine-2,4-dione
CID 57126673
(5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione
CID 70592329
6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione
CID 91570323
6-(1,4-diazepane-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 24708504
3-[3-(5-Amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione
CID 43259678
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43594393
6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 43594686
N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43594982

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 62062323) is 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is NCC1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WYQQAWUZPYDXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-4-6-1-2-14(5-6)9(16)7-3-8(15)13-10(17)12-7/h3,6H,1-2,4-5,11H2,(H2,12,13,15,17).
What are the key properties of 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 238.25 g/mol, XLogP of -1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 62062323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).