1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine

C15H19N5O2 — CID 3013271

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine
SMILESCOc1cc(OC)nc(N/C(N)=N/CCc2ccccc2)n1
InChIInChI=1S/C15H19N5O2/c1-21-12-10-13(22-2)19-15(18-12)20-14(16)17-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyIVEDXVCVTMZBLH-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.46
Rot. Bonds6

About 1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine

1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine (PubChem CID 3013271) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine
PubChem CID3013271
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine
SMILESCOc1cc(OC)nc(N/C(N)=N/CCc2ccccc2)n1
InChIInChI=1S/C15H19N5O2/c1-21-12-10-13(22-2)19-15(18-12)20-14(16)17-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyIVEDXVCVTMZBLH-UHFFFAOYSA-N
XLogP1.46
TPSA94.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine (CID 3013271) is 1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine is COc1cc(OC)nc(N/C(N)=N/CCc2ccccc2)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine?
The InChIKey is IVEDXVCVTMZBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-21-12-10-13(22-2)19-15(18-12)20-14(16)17-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine?
1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine has a molecular weight of 301.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-2-(2-phenylethyl)guanidine is sourced from PubChem (CID 3013271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).