1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine

C20H27N5O — CID 58638779

IUPAC1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCOc1ccc(C2CCCCC2)cc1N/C(N)=N\c1nc(C)cc(C)n1
InChIInChI=1S/C20H27N5O/c1-13-11-14(2)23-20(22-13)25-19(21)24-17-12-16(9-10-18(17)26-3)15-7-5-4-6-8-15/h9-12,15H,4-8H2,1-3H3,(H3,21,22,23,24,25)
InChIKeyFXPVHYIXXMNUAZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.21
Rot. Bonds4

About 1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine

1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine (PubChem CID 58638779) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
PubChem CID58638779
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCOc1ccc(C2CCCCC2)cc1N/C(N)=N\c1nc(C)cc(C)n1
InChIInChI=1S/C20H27N5O/c1-13-11-14(2)23-20(22-13)25-19(21)24-17-12-16(9-10-18(17)26-3)15-7-5-4-6-8-15/h9-12,15H,4-8H2,1-3H3,(H3,21,22,23,24,25)
InChIKeyFXPVHYIXXMNUAZ-UHFFFAOYSA-N
XLogP4.21
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
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-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
CID 58638806
2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111820031
2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine
CID 2268324
1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2,5-dimethoxyphenyl)thiourea
CID 17089145
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111057300
N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 25470768
1-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]guanidine;hydroiodide
CID 111814537
2-amino-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 64818120
1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine
CID 116512151
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 18580859
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The IUPAC name of 1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine (CID 58638779) is 1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine is COc1ccc(C2CCCCC2)cc1N/C(N)=N\c1nc(C)cc(C)n1.
What is the InChIKey of 1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The InChIKey is FXPVHYIXXMNUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-13-11-14(2)23-20(22-13)25-19(21)24-17-12-16(9-10-18(17)26-3)15-7-5-4-6-8-15/h9-12,15H,4-8H2,1-3H3,(H3,21,22,23,24,25).
What are the key properties of 1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine has a molecular weight of 353.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine is sourced from PubChem (CID 58638779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).