2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine

C13H15N5O2 — CID 135495518

IUPAC2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine
SMILESCOCc1cc(=O)[nH]c(/N=C(\N)Nc2ccccc2)n1
InChIInChI=1S/C13H15N5O2/c1-20-8-10-7-11(19)17-13(16-10)18-12(14)15-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H4,14,15,16,17,18,19)
InChIKeyVRBOOTFRDIFPNI-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.97
Rot. Bonds4

About 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine

2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine (PubChem CID 135495518) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine
PubChem CID135495518
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine
SMILESCOCc1cc(=O)[nH]c(/N=C(\N)Nc2ccccc2)n1
InChIInChI=1S/C13H15N5O2/c1-20-8-10-7-11(19)17-13(16-10)18-12(14)15-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H4,14,15,16,17,18,19)
InChIKeyVRBOOTFRDIFPNI-UHFFFAOYSA-N
XLogP0.97
TPSA105.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine?
The IUPAC name of 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine (CID 135495518) is 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine.
What is the SMILES notation for 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine?
The canonical SMILES for 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine is COCc1cc(=O)[nH]c(/N=C(\N)Nc2ccccc2)n1.
What is the InChIKey of 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine?
The InChIKey is VRBOOTFRDIFPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-20-8-10-7-11(19)17-13(16-10)18-12(14)15-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H4,14,15,16,17,18,19).
What are the key properties of 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine?
2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine has a molecular weight of 273.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine is sourced from PubChem (CID 135495518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).