3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide

C13H19N5O2 — CID 118527353

IUPAC3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide
SMILESCc1cc2cn(CCCNC(=O)CCN)c(=O)nc2[nH]1
InChIInChI=1S/C13H19N5O2/c1-9-7-10-8-18(13(20)17-12(10)16-9)6-2-5-15-11(19)3-4-14/h7-8H,2-6,14H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyHAOKEXSTQXSCLZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.11
Rot. Bonds6

About 3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide

3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide (PubChem CID 118527353) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide
PubChem CID118527353
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide
SMILESCc1cc2cn(CCCNC(=O)CCN)c(=O)nc2[nH]1
InChIInChI=1S/C13H19N5O2/c1-9-7-10-8-18(13(20)17-12(10)16-9)6-2-5-15-11(19)3-4-14/h7-8H,2-6,14H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyHAOKEXSTQXSCLZ-UHFFFAOYSA-N
XLogP-0.11
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide?
The IUPAC name of 3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide (CID 118527353) is 3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide is Cc1cc2cn(CCCNC(=O)CCN)c(=O)nc2[nH]1.
What is the InChIKey of 3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide?
The InChIKey is HAOKEXSTQXSCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-7-10-8-18(13(20)17-12(10)16-9)6-2-5-15-11(19)3-4-14/h7-8H,2-6,14H2,1H3,(H,15,19)(H,16,17,20).
What are the key properties of 3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide?
3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide has a molecular weight of 277.33 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide is sourced from PubChem (CID 118527353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).