1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine

C15H19N5O — CID 3013275

IUPAC1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
SMILESCc1nc(N/C(N)=N/CCc2ccccc2)nc(C)c1O
InChIInChI=1S/C15H19N5O/c1-10-13(21)11(2)19-15(18-10)20-14(16)17-9-8-12-6-4-3-5-7-12/h3-7,21H,8-9H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyQREODGVSSIAACV-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.77
Rot. Bonds4

About 1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine

1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine (PubChem CID 3013275) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
PubChem CID3013275
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
SMILESCc1nc(N/C(N)=N/CCc2ccccc2)nc(C)c1O
InChIInChI=1S/C15H19N5O/c1-10-13(21)11(2)19-15(18-10)20-14(16)17-9-8-12-6-4-3-5-7-12/h3-7,21H,8-9H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyQREODGVSSIAACV-UHFFFAOYSA-N
XLogP1.77
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.77
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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Related Compounds

1-(5-bromo-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
CID 3013274
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
1-amino-2-(2-phenylethyl)guanidine;hydroiodide
CID 158954374
1,2-bis(2-phenylethyl)guanidine
CID 111022877
1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-phenylethyl)guanidine;hydrochloride
CID 45263056
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine
CID 6341571
1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine
CID 78298572
1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111072148
1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 110924654
2-(2-naphthalen-2-ylethyl)-1-phenylguanidine
CID 110926253
N-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027913

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine?
The IUPAC name of 1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine (CID 3013275) is 1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine?
The canonical SMILES for 1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine is Cc1nc(N/C(N)=N/CCc2ccccc2)nc(C)c1O.
What is the InChIKey of 1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine?
The InChIKey is QREODGVSSIAACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-13(21)11(2)19-15(18-10)20-14(16)17-9-8-12-6-4-3-5-7-12/h3-7,21H,8-9H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine?
1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine has a molecular weight of 285.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine is sourced from PubChem (CID 3013275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).