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

C14H21N5O2 — CID 70653678

IUPAC3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide
SMILESCCc1cc2cn(CCCNC(=O)CCN)c(=O)nc2[nH]1
InChIInChI=1S/C14H21N5O2/c1-2-11-8-10-9-19(14(21)18-13(10)17-11)7-3-6-16-12(20)4-5-15/h8-9H,2-7,15H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyAIQRCNKHPAWQKU-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.14
Rot. Bonds7

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

3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide (PubChem CID 70653678) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide
PubChem CID70653678
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide
SMILESCCc1cc2cn(CCCNC(=O)CCN)c(=O)nc2[nH]1
InChIInChI=1S/C14H21N5O2/c1-2-11-8-10-9-19(14(21)18-13(10)17-11)7-3-6-16-12(20)4-5-15/h8-9H,2-7,15H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyAIQRCNKHPAWQKU-UHFFFAOYSA-N
XLogP0.14
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.14
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-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide with MolForge

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Related Compounds

6-(3-aminopropyl)-3-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 58354101
3-[5-(3-aminopropylamino)pentyl]-6-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 70645807
2-[3-[5-(6-tert-butyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)pentylamino]propyl]guanidine
CID 70645826
2-[3-[4-(6-tert-butyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine
CID 70645845
2-[3-[3-(6-tert-butyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine
CID 70645933
3-(6-tert-butyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(diaminomethylideneamino)propyl]propanamide
CID 70646050
N-[3-(6-tert-butyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]-3-(diaminomethylideneamino)propanamide
CID 70646053
3-amino-N-[3-(6-tert-butyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide
CID 70646056
3-(diaminomethylideneamino)-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide
CID 70653548
N-[3-(diaminomethylideneamino)propyl]-2-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 70653677
N-[3-(diaminomethylideneamino)propyl]-3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
CID 70653815
6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 90194117

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide?
The IUPAC name of 3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide (CID 70653678) is 3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide is CCc1cc2cn(CCCNC(=O)CCN)c(=O)nc2[nH]1.
What is the InChIKey of 3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide?
The InChIKey is AIQRCNKHPAWQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-11-8-10-9-19(14(21)18-13(10)17-11)7-3-6-16-12(20)4-5-15/h8-9H,2-7,15H2,1H3,(H,16,20)(H,17,18,21).
What are the key properties of 3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide?
3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide has a molecular weight of 291.36 g/mol, XLogP of 0.14, 7 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-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide is sourced from PubChem (CID 70653678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).