1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine

C14H23N5 — CID 2936557

IUPAC1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine
SMILESCc1cc(C)nc(N=C(N)N(C)C2CCCCC2)n1
InChIInChI=1S/C14H23N5/c1-10-9-11(2)17-14(16-10)18-13(15)19(3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyUSVGOWZVWHLYLD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.30
Rot. Bonds2

About 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine

1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine (PubChem CID 2936557) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine
PubChem CID2936557
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine
SMILESCc1cc(C)nc(N=C(N)N(C)C2CCCCC2)n1
InChIInChI=1S/C14H23N5/c1-10-9-11(2)17-14(16-10)18-13(15)19(3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyUSVGOWZVWHLYLD-UHFFFAOYSA-N
XLogP2.30
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
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-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine?
The IUPAC name of 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine (CID 2936557) is 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine.
What is the SMILES notation for 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine?
The canonical SMILES for 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine is Cc1cc(C)nc(N=C(N)N(C)C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine?
The InChIKey is USVGOWZVWHLYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10-9-11(2)17-14(16-10)18-13(15)19(3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine?
1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine has a molecular weight of 261.37 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine is sourced from PubChem (CID 2936557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).