2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione

C11H17N3O2 — CID 76998061

IUPAC2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(C(N)C2CC2)NC1=O
InChIInChI=1S/C11H17N3O2/c1-2-3-7-10(15)13-9(14-11(7)16)8(12)6-4-5-6/h6-8H,2-5,12H2,1H3,(H,13,14,15,16)
InChIKeyOZTGVJTXSBXIJQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.19
Rot. Bonds4

About 2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione

2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione (PubChem CID 76998061) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione
PubChem CID76998061
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(C(N)C2CC2)NC1=O
InChIInChI=1S/C11H17N3O2/c1-2-3-7-10(15)13-9(14-11(7)16)8(12)6-4-5-6/h6-8H,2-5,12H2,1H3,(H,13,14,15,16)
InChIKeyOZTGVJTXSBXIJQ-UHFFFAOYSA-N
XLogP0.19
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-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

2-(1-amino-2-methylpropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550695
2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550750
4-methyl-2-pentan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 123410253
(2S)-2-amino-N-[5-(diaminomethylideneamino)pentanimidoyl]-4-methylpentanamide
CID 140419180
2-amino-4-methyl-N-(5H-purin-6-yl)pentanamide
CID 437184
2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide
CID 71905699
2-(1-piperazin-1-ylethyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76175609
2-(1-aminoethyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998013
5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione
CID 76998018
2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione
CID 76998019
2-(1-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998055
2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998060

Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione (CID 76998061) is 2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione is CCCC1C(=O)N=C(C(N)C2CC2)NC1=O.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione?
The InChIKey is OZTGVJTXSBXIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-7-10(15)13-9(14-11(7)16)8(12)6-4-5-6/h6-8H,2-5,12H2,1H3,(H,13,14,15,16).
What are the key properties of 2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione?
2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione has a molecular weight of 223.28 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).