2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine

C14H22N4 — CID 114196784

IUPAC2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CN2CC3CCCC(C3)C2)n1
InChIInChI=1S/C14H22N4/c1-10-5-13(15)17-14(16-10)9-18-7-11-3-2-4-12(6-11)8-18/h5,11-12H,2-4,6-9H2,1H3,(H2,15,16,17)
InChIKeyJACPPLMPDVOEAW-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.99
Rot. Bonds2

About 2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine

2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine (PubChem CID 114196784) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine
PubChem CID114196784
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CN2CC3CCCC(C3)C2)n1
InChIInChI=1S/C14H22N4/c1-10-5-13(15)17-14(16-10)9-18-7-11-3-2-4-12(6-11)8-18/h5,11-12H,2-4,6-9H2,1H3,(H2,15,16,17)
InChIKeyJACPPLMPDVOEAW-UHFFFAOYSA-N
XLogP1.99
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine (CID 114196784) is 2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine is Cc1cc(N)nc(CN2CC3CCCC(C3)C2)n1.
What is the InChIKey of 2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine?
The InChIKey is JACPPLMPDVOEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-5-13(15)17-14(16-10)9-18-7-11-3-2-4-12(6-11)8-18/h5,11-12H,2-4,6-9H2,1H3,(H2,15,16,17).
What are the key properties of 2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine?
2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 114196784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).