sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane

C17H24ClN4Na — CID 177336089

IUPACsodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane
SMILESCC.Cc1ccc(NC2CCCC2)nc1.Clc1cn[c-]nc1.[Na+]
InChIInChI=1S/C11H16N2.C4H2ClN2.C2H6.Na/c1-9-6-7-11(12-8-9)13-10-4-2-3-5-10;5-4-1-6-3-7-2-4;1-2;/h6-8,10H,2-5H2,1H3,(H,12,13);1-2H;1-2H3;/q;-1;;+1
InChIKeyLQBOFQIIKUODTR-UHFFFAOYSA-N
MW342.85 g/mol
LogP1.70
Rot. Bonds2

About sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane

sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane (PubChem CID 177336089) has the molecular formula C17H24ClN4Na and a molecular weight of 342.85 g/mol. Its IUPAC name is sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane.

Molecular Properties

Compound Namesodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane
PubChem CID177336089
Molecular FormulaC17H24ClN4Na
Molecular Weight342.85 g/mol
Exact Mass342.16
IUPAC Namesodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane
SMILESCC.Cc1ccc(NC2CCCC2)nc1.Clc1cn[c-]nc1.[Na+]
InChIInChI=1S/C11H16N2.C4H2ClN2.C2H6.Na/c1-9-6-7-11(12-8-9)13-10-4-2-3-5-10;5-4-1-6-3-7-2-4;1-2;/h6-8,10H,2-5H2,1H3,(H,12,13);1-2H;1-2H3;/q;-1;;+1
InChIKeyLQBOFQIIKUODTR-UHFFFAOYSA-N
XLogP1.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-2-pyridinyl)azepan-4-amine
CID 107173810
5-chloro-N-cyclobutylpyridin-2-amine
CID 62414394
4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86694119
4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 155222928
4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 66279255
5-methyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 68833864
5-methyl-N-(2-methylcyclopentyl)pyridin-2-amine
CID 63281216
5-methyl-N-(3-methylsulfanylcyclopentyl)pyridin-2-amine
CID 103704113
cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine
CID 159909589
5-(bromomethyl)-N-cyclohexylpyridin-2-amine
CID 139898305
2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
CID 62477966
1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde
CID 89217716

Frequently Asked Questions

What is the IUPAC name of sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane?
The IUPAC name of sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane (CID 177336089) is sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane.
What is the SMILES notation for sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane?
The canonical SMILES for sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane is CC.Cc1ccc(NC2CCCC2)nc1.Clc1cn[c-]nc1.[Na+].
What is the InChIKey of sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane?
The InChIKey is LQBOFQIIKUODTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C4H2ClN2.C2H6.Na/c1-9-6-7-11(12-8-9)13-10-4-2-3-5-10;5-4-1-6-3-7-2-4;1-2;/h6-8,10H,2-5H2,1H3,(H,12,13);1-2H;1-2H3;/q;-1;;+1.
What are the key properties of sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane?
sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane has a molecular weight of 342.85 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane is sourced from PubChem (CID 177336089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).