1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine

C13H15N5 — CID 69179529

IUPAC1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine
SMILES[H]/N=C(\N)N(CCc1ccccc1)c1ncccn1
InChIInChI=1S/C13H15N5/c14-12(15)18(13-16-8-4-9-17-13)10-7-11-5-2-1-3-6-11/h1-6,8-9H,7,10H2,(H3,14,15)
InChIKeyMPWPRVZVPFWGDI-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.42
Rot. Bonds4

About 1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine

1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine (PubChem CID 69179529) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine.

Molecular Properties

Compound Name1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine
PubChem CID69179529
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine
SMILES[H]/N=C(\N)N(CCc1ccccc1)c1ncccn1
InChIInChI=1S/C13H15N5/c14-12(15)18(13-16-8-4-9-17-13)10-7-11-5-2-1-3-6-11/h1-6,8-9H,7,10H2,(H3,14,15)
InChIKeyMPWPRVZVPFWGDI-UHFFFAOYSA-N
XLogP1.42
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
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 1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine?
The IUPAC name of 1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine (CID 69179529) is 1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine.
What is the SMILES notation for 1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine?
The canonical SMILES for 1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine is [H]/N=C(\N)N(CCc1ccccc1)c1ncccn1.
What is the InChIKey of 1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine?
The InChIKey is MPWPRVZVPFWGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c14-12(15)18(13-16-8-4-9-17-13)10-7-11-5-2-1-3-6-11/h1-6,8-9H,7,10H2,(H3,14,15).
What are the key properties of 1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine?
1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine has a molecular weight of 241.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine is sourced from PubChem (CID 69179529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).