6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine

C18H26N4 — CID 10193093

IUPAC6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(NC2CC2)nc(C2CC2)nc1N1CC2CCC(C2)C1
InChIInChI=1S/C18H26N4/c1-11-16(19-15-6-7-15)20-17(14-4-5-14)21-18(11)22-9-12-2-3-13(8-12)10-22/h12-15H,2-10H2,1H3,(H,19,20,21)
InChIKeyYZJQCFJGKQCYRK-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.47
Rot. Bonds4

About 6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine

6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 10193093) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine
PubChem CID10193093
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(NC2CC2)nc(C2CC2)nc1N1CC2CCC(C2)C1
InChIInChI=1S/C18H26N4/c1-11-16(19-15-6-7-15)20-17(14-4-5-14)21-18(11)22-9-12-2-3-13(8-12)10-22/h12-15H,2-10H2,1H3,(H,19,20,21)
InChIKeyYZJQCFJGKQCYRK-UHFFFAOYSA-N
XLogP3.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine (CID 10193093) is 6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine is Cc1c(NC2CC2)nc(C2CC2)nc1N1CC2CCC(C2)C1.
What is the InChIKey of 6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is YZJQCFJGKQCYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-11-16(19-15-6-7-15)20-17(14-4-5-14)21-18(11)22-9-12-2-3-13(8-12)10-22/h12-15H,2-10H2,1H3,(H,19,20,21).
What are the key properties of 6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine?
6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 298.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azabicyclo[3.2.1]octan-3-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 10193093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).