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

C11H17N3O2 — CID 76998118

IUPAC2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(CNC2CC2)NC1=O
InChIInChI=1S/C11H17N3O2/c1-2-3-8-10(15)13-9(14-11(8)16)6-12-7-4-5-7/h7-8,12H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyQDMKXUQOGUBFDM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.21
Rot. Bonds5

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

2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione (PubChem CID 76998118) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione
PubChem CID76998118
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(CNC2CC2)NC1=O
InChIInChI=1S/C11H17N3O2/c1-2-3-8-10(15)13-9(14-11(8)16)6-12-7-4-5-7/h7-8,12H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyQDMKXUQOGUBFDM-UHFFFAOYSA-N
XLogP0.21
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(cyclopropylamino)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-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550750
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
2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione
CID 76998061
5-ethyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
CID 76998104
2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione
CID 76998105
2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998117

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione (CID 76998118) is 2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione is CCCC1C(=O)N=C(CNC2CC2)NC1=O.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione?
The InChIKey is QDMKXUQOGUBFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-8-10(15)13-9(14-11(8)16)6-12-7-4-5-7/h7-8,12H,2-6H2,1H3,(H,13,14,15,16).
What are the key properties of 2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione?
2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione has a molecular weight of 223.28 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).