2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine

C14H15N5O — CID 135441038

IUPAC2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine
SMILESNC(=Nc1nc2c(c(=O)[nH]1)CCC2)Nc1ccccc1
InChIInChI=1S/C14H15N5O/c15-13(16-9-5-2-1-3-6-9)19-14-17-11-8-4-7-10(11)12(20)18-14/h1-3,5-6H,4,7-8H2,(H4,15,16,17,18,19,20)
InChIKeyNLEMRLQWSCSUHS-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.32
Rot. Bonds2

About 2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine

2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine (PubChem CID 135441038) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine
PubChem CID135441038
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine
SMILESNC(=Nc1nc2c(c(=O)[nH]1)CCC2)Nc1ccccc1
InChIInChI=1S/C14H15N5O/c15-13(16-9-5-2-1-3-6-9)19-14-17-11-8-4-7-10(11)12(20)18-14/h1-3,5-6H,4,7-8H2,(H4,15,16,17,18,19,20)
InChIKeyNLEMRLQWSCSUHS-UHFFFAOYSA-N
XLogP1.32
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine?
The IUPAC name of 2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine (CID 135441038) is 2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine.
What is the SMILES notation for 2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine?
The canonical SMILES for 2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine is NC(=Nc1nc2c(c(=O)[nH]1)CCC2)Nc1ccccc1.
What is the InChIKey of 2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine?
The InChIKey is NLEMRLQWSCSUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-13(16-9-5-2-1-3-6-9)19-14-17-11-8-4-7-10(11)12(20)18-14/h1-3,5-6H,4,7-8H2,(H4,15,16,17,18,19,20).
What are the key properties of 2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine?
2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine has a molecular weight of 269.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-1-phenylguanidine is sourced from PubChem (CID 135441038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).