1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine

C18H29N5 — CID 119134140

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine
SMILESC/N=C(\NCc1ccnc(C)n1)NC1CCC2CCCCC2C1
InChIInChI=1S/C18H29N5/c1-13-20-10-9-17(22-13)12-21-18(19-2)23-16-8-7-14-5-3-4-6-15(14)11-16/h9-10,14-16H,3-8,11-12H2,1-2H3,(H2,19,21,23)
InChIKeyULNDILQSXQGFKS-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.81
Rot. Bonds3

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine (PubChem CID 119134140) has the molecular formula C18H29N5 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine
PubChem CID119134140
Molecular FormulaC18H29N5
Molecular Weight315.46 g/mol
Exact Mass315.24
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine
SMILESC/N=C(\NCc1ccnc(C)n1)NC1CCC2CCCCC2C1
InChIInChI=1S/C18H29N5/c1-13-20-10-9-17(22-13)12-21-18(19-2)23-16-8-7-14-5-3-4-6-15(14)11-16/h9-10,14-16H,3-8,11-12H2,1-2H3,(H2,19,21,23)
InChIKeyULNDILQSXQGFKS-UHFFFAOYSA-N
XLogP2.81
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.81
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

2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119151764
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 119149785
1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine
CID 116510819
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine
CID 119154322
2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60962281
2-(cyclopentylamino)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 54901558
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 119131200
trans-(1R,2R)-2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentan-1-ol
CID 93444311
1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119140089
2-methyl-1-(4-methylcyclohexyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111256863
1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 109400686

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine (CID 119134140) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine is C/N=C(\NCc1ccnc(C)n1)NC1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine?
The InChIKey is ULNDILQSXQGFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-13-20-10-9-17(22-13)12-21-18(19-2)23-16-8-7-14-5-3-4-6-15(14)11-16/h9-10,14-16H,3-8,11-12H2,1-2H3,(H2,19,21,23).
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine has a molecular weight of 315.46 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine is sourced from PubChem (CID 119134140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).