2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine

C16H23N7O — CID 118527308

IUPAC2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine
SMILESCc1cc2cn(C3=CCN(CCCN=C(N)N)CC3)c(=O)nc2[nH]1
InChIInChI=1S/C16H23N7O/c1-11-9-12-10-23(16(24)21-14(12)20-11)13-3-7-22(8-4-13)6-2-5-19-15(17)18/h3,9-10H,2,4-8H2,1H3,(H4,17,18,19)(H,20,21,24)
InChIKeyKVJSWCTUZNLDNW-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.24
Rot. Bonds5

About 2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine

2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine (PubChem CID 118527308) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine
PubChem CID118527308
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine
SMILESCc1cc2cn(C3=CCN(CCCN=C(N)N)CC3)c(=O)nc2[nH]1
InChIInChI=1S/C16H23N7O/c1-11-9-12-10-23(16(24)21-14(12)20-11)13-3-7-22(8-4-13)6-2-5-19-15(17)18/h3,9-10H,2,4-8H2,1H3,(H4,17,18,19)(H,20,21,24)
InChIKeyKVJSWCTUZNLDNW-UHFFFAOYSA-N
XLogP0.24
TPSA118.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.24
H-Bond Donors ≤ 53
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-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine?
The IUPAC name of 2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine (CID 118527308) is 2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine.
What is the SMILES notation for 2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine?
The canonical SMILES for 2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine is Cc1cc2cn(C3=CCN(CCCN=C(N)N)CC3)c(=O)nc2[nH]1.
What is the InChIKey of 2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine?
The InChIKey is KVJSWCTUZNLDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-11-9-12-10-23(16(24)21-14(12)20-11)13-3-7-22(8-4-13)6-2-5-19-15(17)18/h3,9-10H,2,4-8H2,1H3,(H4,17,18,19)(H,20,21,24).
What are the key properties of 2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine?
2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine has a molecular weight of 329.41 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine is sourced from PubChem (CID 118527308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).