2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine

C14H17N5O — CID 135485465

IUPAC2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine
SMILESCCCc1cc(=O)[nH]c(/N=C(\N)Nc2ccccc2)n1
InChIInChI=1S/C14H17N5O/c1-2-6-11-9-12(20)18-14(17-11)19-13(15)16-10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H4,15,16,17,18,19,20)
InChIKeyXCGONIMCDNHAMA-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.78
Rot. Bonds4

About 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine

2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine (PubChem CID 135485465) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine
PubChem CID135485465
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine
SMILESCCCc1cc(=O)[nH]c(/N=C(\N)Nc2ccccc2)n1
InChIInChI=1S/C14H17N5O/c1-2-6-11-9-12(20)18-14(17-11)19-13(15)16-10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H4,15,16,17,18,19,20)
InChIKeyXCGONIMCDNHAMA-UHFFFAOYSA-N
XLogP1.78
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.78
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-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine?
The IUPAC name of 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine (CID 135485465) is 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine.
What is the SMILES notation for 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine?
The canonical SMILES for 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine is CCCc1cc(=O)[nH]c(/N=C(\N)Nc2ccccc2)n1.
What is the InChIKey of 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine?
The InChIKey is XCGONIMCDNHAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-6-11-9-12(20)18-14(17-11)19-13(15)16-10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H4,15,16,17,18,19,20).
What are the key properties of 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine?
2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine has a molecular weight of 271.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-phenylguanidine is sourced from PubChem (CID 135485465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).