N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C14H22N4O — CID 112634781

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1cc(C)nc(N(C)C2CC3CCC(C2)N3)n1
InChIInChI=1S/C14H22N4O/c1-9-6-13(19-3)17-14(15-9)18(2)12-7-10-4-5-11(8-12)16-10/h6,10-12,16H,4-5,7-8H2,1-3H3
InChIKeyBYWOEORTTGYLTP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.51
Rot. Bonds3

About N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 112634781) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID112634781
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1cc(C)nc(N(C)C2CC3CCC(C2)N3)n1
InChIInChI=1S/C14H22N4O/c1-9-6-13(19-3)17-14(15-9)18(2)12-7-10-4-5-11(8-12)16-10/h6,10-12,16H,4-5,7-8H2,1-3H3
InChIKeyBYWOEORTTGYLTP-UHFFFAOYSA-N
XLogP1.51
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 112634781) is N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is COc1cc(C)nc(N(C)C2CC3CCC(C2)N3)n1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BYWOEORTTGYLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-6-13(19-3)17-14(15-9)18(2)12-7-10-4-5-11(8-12)16-10/h6,10-12,16H,4-5,7-8H2,1-3H3.
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 262.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 112634781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).