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

C14H23N7O — CID 118527480

IUPAC2-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine
SMILESCc1cc2cn(CCCNCCCN=C(N)N)c(=O)nc2[nH]1
InChIInChI=1S/C14H23N7O/c1-10-8-11-9-21(14(22)20-12(11)19-10)7-3-5-17-4-2-6-18-13(15)16/h8-9,17H,2-7H2,1H3,(H4,15,16,18)(H,19,20,22)
InChIKeyVVMXJQJUWZPKCT-UHFFFAOYSA-N
MW305.39 g/mol
LogP-0.32
Rot. Bonds8

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

2-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine (PubChem CID 118527480) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine
PubChem CID118527480
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name2-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine
SMILESCc1cc2cn(CCCNCCCN=C(N)N)c(=O)nc2[nH]1
InChIInChI=1S/C14H23N7O/c1-10-8-11-9-21(14(22)20-12(11)19-10)7-3-5-17-4-2-6-18-13(15)16/h8-9,17H,2-7H2,1H3,(H4,15,16,18)(H,19,20,22)
InChIKeyVVMXJQJUWZPKCT-UHFFFAOYSA-N
XLogP-0.32
TPSA127.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine?
The IUPAC name of 2-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine (CID 118527480) is 2-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine.
What is the SMILES notation for 2-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine?
The canonical SMILES for 2-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine is Cc1cc2cn(CCCNCCCN=C(N)N)c(=O)nc2[nH]1.
What is the InChIKey of 2-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine?
The InChIKey is VVMXJQJUWZPKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-10-8-11-9-21(14(22)20-12(11)19-10)7-3-5-17-4-2-6-18-13(15)16/h8-9,17H,2-7H2,1H3,(H4,15,16,18)(H,19,20,22).
What are the key properties of 2-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine?
2-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine has a molecular weight of 305.39 g/mol, XLogP of -0.32, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine is sourced from PubChem (CID 118527480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).