2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine

C13H21N7O2 — CID 118527464

IUPAC2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine
SMILESCc1cc2cn(CC(O)CNCCN=C(N)N)c(=O)nc2[nH]1
InChIInChI=1S/C13H21N7O2/c1-8-4-9-6-20(13(22)19-11(9)18-8)7-10(21)5-16-2-3-17-12(14)15/h4,6,10,16,21H,2-3,5,7H2,1H3,(H4,14,15,17)(H,18,19,22)
InChIKeyKVSIWYCXEBDDKA-UHFFFAOYSA-N
MW307.36 g/mol
LogP-1.74
Rot. Bonds7

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

2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine (PubChem CID 118527464) has the molecular formula C13H21N7O2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine
PubChem CID118527464
Molecular FormulaC13H21N7O2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine
SMILESCc1cc2cn(CC(O)CNCCN=C(N)N)c(=O)nc2[nH]1
InChIInChI=1S/C13H21N7O2/c1-8-4-9-6-20(13(22)19-11(9)18-8)7-10(21)5-16-2-3-17-12(14)15/h4,6,10,16,21H,2-3,5,7H2,1H3,(H4,14,15,17)(H,18,19,22)
InChIKeyKVSIWYCXEBDDKA-UHFFFAOYSA-N
XLogP-1.74
TPSA147.34 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 5-1.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine?
The IUPAC name of 2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine (CID 118527464) is 2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine?
The canonical SMILES for 2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine is Cc1cc2cn(CC(O)CNCCN=C(N)N)c(=O)nc2[nH]1.
What is the InChIKey of 2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine?
The InChIKey is KVSIWYCXEBDDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O2/c1-8-4-9-6-20(13(22)19-11(9)18-8)7-10(21)5-16-2-3-17-12(14)15/h4,6,10,16,21H,2-3,5,7H2,1H3,(H4,14,15,17)(H,18,19,22).
What are the key properties of 2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine?
2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine has a molecular weight of 307.36 g/mol, XLogP of -1.74, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-hydroxy-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]amino]ethyl]guanidine is sourced from PubChem (CID 118527464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).