N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine

C19H24N4O — CID 56711174

IUPACN-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cccc(OC34CCCN(CC3)C4)c2)n1
InChIInChI=1S/C19H24N4O/c1-14-11-15(2)21-18(20-14)22-16-5-3-6-17(12-16)24-19-7-4-9-23(13-19)10-8-19/h3,5-6,11-12H,4,7-10,13H2,1-2H3,(H,20,21,22)
InChIKeyURUWTPWCKBBTFT-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.45
Rot. Bonds4

About N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine

N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 56711174) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID56711174
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cccc(OC34CCCN(CC3)C4)c2)n1
InChIInChI=1S/C19H24N4O/c1-14-11-15(2)21-18(20-14)22-16-5-3-6-17(12-16)24-19-7-4-9-23(13-19)10-8-19/h3,5-6,11-12H,4,7-10,13H2,1-2H3,(H,20,21,22)
InChIKeyURUWTPWCKBBTFT-UHFFFAOYSA-N
XLogP3.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine (CID 56711174) is N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(Nc2cccc(OC34CCCN(CC3)C4)c2)n1.
What is the InChIKey of N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is URUWTPWCKBBTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-11-15(2)21-18(20-14)22-16-5-3-6-17(12-16)24-19-7-4-9-23(13-19)10-8-19/h3,5-6,11-12H,4,7-10,13H2,1-2H3,(H,20,21,22).
What are the key properties of N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine?
N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 324.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 56711174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).