N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine

C14H23N5O — CID 133399496

IUPACN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCC2CN3CCN2CC3)n1
InChIInChI=1S/C14H23N5O/c1-11-7-13(17-14(16-11)10-20-2)15-8-12-9-18-3-5-19(12)6-4-18/h7,12H,3-6,8-10H2,1-2H3,(H,15,16,17)
InChIKeyWTYBNSZUDSSZSU-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.34
Rot. Bonds5

About N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine

N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine (PubChem CID 133399496) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
PubChem CID133399496
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCC2CN3CCN2CC3)n1
InChIInChI=1S/C14H23N5O/c1-11-7-13(17-14(16-11)10-20-2)15-8-12-9-18-3-5-19(12)6-4-18/h7,12H,3-6,8-10H2,1-2H3,(H,15,16,17)
InChIKeyWTYBNSZUDSSZSU-UHFFFAOYSA-N
XLogP0.34
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine (CID 133399496) is N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine is COCc1nc(C)cc(NCC2CN3CCN2CC3)n1.
What is the InChIKey of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The InChIKey is WTYBNSZUDSSZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-7-13(17-14(16-11)10-20-2)15-8-12-9-18-3-5-19(12)6-4-18/h7,12H,3-6,8-10H2,1-2H3,(H,15,16,17).
What are the key properties of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133399496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).