6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine

C19H24N4 — CID 70344036

IUPAC6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2cc(N3CC4CCC(CC4)C3)ncn2)c1
InChIInChI=1S/C19H24N4/c1-14-3-2-4-17(9-14)22-18-10-19(21-13-20-18)23-11-15-5-6-16(12-23)8-7-15/h2-4,9-10,13,15-16H,5-8,11-12H2,1H3,(H,20,21,22)
InChIKeyMJUPTOKGSPDBNC-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.16
Rot. Bonds3

About 6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine

6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine (PubChem CID 70344036) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine
PubChem CID70344036
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2cc(N3CC4CCC(CC4)C3)ncn2)c1
InChIInChI=1S/C19H24N4/c1-14-3-2-4-17(9-14)22-18-10-19(21-13-20-18)23-11-15-5-6-16(12-23)8-7-15/h2-4,9-10,13,15-16H,5-8,11-12H2,1H3,(H,20,21,22)
InChIKeyMJUPTOKGSPDBNC-UHFFFAOYSA-N
XLogP4.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine (CID 70344036) is 6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine is Cc1cccc(Nc2cc(N3CC4CCC(CC4)C3)ncn2)c1.
What is the InChIKey of 6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine?
The InChIKey is MJUPTOKGSPDBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-14-3-2-4-17(9-14)22-18-10-19(21-13-20-18)23-11-15-5-6-16(12-23)8-7-15/h2-4,9-10,13,15-16H,5-8,11-12H2,1H3,(H,20,21,22).
What are the key properties of 6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine?
6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine has a molecular weight of 308.43 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 70344036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).