1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine

C16H21N5 — CID 78298572

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine
SMILESCc1cc(C)nc(N/C(N)=N/CC(C)c2ccccc2)n1
InChIInChI=1S/C16H21N5/c1-11(14-7-5-4-6-8-14)10-18-15(17)21-16-19-12(2)9-13(3)20-16/h4-9,11H,10H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyQGISGMXMMYRWQD-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.62
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine

1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine (PubChem CID 78298572) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine
PubChem CID78298572
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine
SMILESCc1cc(C)nc(N/C(N)=N/CC(C)c2ccccc2)n1
InChIInChI=1S/C16H21N5/c1-11(14-7-5-4-6-8-14)10-18-15(17)21-16-19-12(2)9-13(3)20-16/h4-9,11H,10H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyQGISGMXMMYRWQD-UHFFFAOYSA-N
XLogP2.62
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.62
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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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine
CID 142888276
1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine
CID 6850937
2-[2-(3-methylphenyl)propyl]-1-phenylguanidine
CID 111459323
1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030287
1-ethyl-2-(2-phenylpropyl)guanidine
CID 115612304
1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
CID 95766819
1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030275
1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
CID 136924616
1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111498176
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277
2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 110032566
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine (CID 78298572) is 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine is Cc1cc(C)nc(N/C(N)=N/CC(C)c2ccccc2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine?
The InChIKey is QGISGMXMMYRWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-11(14-7-5-4-6-8-14)10-18-15(17)21-16-19-12(2)9-13(3)20-16/h4-9,11H,10H2,1-3H3,(H3,17,18,19,20,21).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine?
1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine has a molecular weight of 283.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine is sourced from PubChem (CID 78298572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).