5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine

C11H17N5O — CID 122456390

IUPAC5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine
SMILESCc1c(N)nc(N)nc1N1CC2CCC(C1)O2
InChIInChI=1S/C11H17N5O/c1-6-9(12)14-11(13)15-10(6)16-4-7-2-3-8(5-16)17-7/h7-8H,2-5H2,1H3,(H4,12,13,14,15)
InChIKeyMIAPEPCIOYBQGF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.32
Rot. Bonds1

About 5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine

5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine (PubChem CID 122456390) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine
PubChem CID122456390
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine
SMILESCc1c(N)nc(N)nc1N1CC2CCC(C1)O2
InChIInChI=1S/C11H17N5O/c1-6-9(12)14-11(13)15-10(6)16-4-7-2-3-8(5-16)17-7/h7-8H,2-5H2,1H3,(H4,12,13,14,15)
InChIKeyMIAPEPCIOYBQGF-UHFFFAOYSA-N
XLogP0.32
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine (CID 122456390) is 5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine is Cc1c(N)nc(N)nc1N1CC2CCC(C1)O2.
What is the InChIKey of 5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is MIAPEPCIOYBQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-6-9(12)14-11(13)15-10(6)16-4-7-2-3-8(5-16)17-7/h7-8H,2-5H2,1H3,(H4,12,13,14,15).
What are the key properties of 5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine?
5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 235.29 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 122456390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).