N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

C12H18N4 — CID 62771817

IUPACN-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nccc(NC2CC3CCC(C2)N3)n1
InChIInChI=1S/C12H18N4/c1-8-13-5-4-12(14-8)16-11-6-9-2-3-10(7-11)15-9/h4-5,9-11,15H,2-3,6-7H2,1H3,(H,13,14,16)
InChIKeySSXUWVGJSBWJEV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.48
Rot. Bonds2

About N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62771817) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62771817
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nccc(NC2CC3CCC(C2)N3)n1
InChIInChI=1S/C12H18N4/c1-8-13-5-4-12(14-8)16-11-6-9-2-3-10(7-11)15-9/h4-5,9-11,15H,2-3,6-7H2,1H3,(H,13,14,16)
InChIKeySSXUWVGJSBWJEV-UHFFFAOYSA-N
XLogP1.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62771817) is N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is Cc1nccc(NC2CC3CCC(C2)N3)n1.
What is the InChIKey of N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SSXUWVGJSBWJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8-13-5-4-12(14-8)16-11-6-9-2-3-10(7-11)15-9/h4-5,9-11,15H,2-3,6-7H2,1H3,(H,13,14,16).
What are the key properties of N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 218.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62771817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).