N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine

C12H17N5O — CID 72846992

IUPACN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine
SMILESCC(C)Cc1noc(CN(C)c2ncccn2)n1
InChIInChI=1S/C12H17N5O/c1-9(2)7-10-15-11(18-16-10)8-17(3)12-13-5-4-6-14-12/h4-6,9H,7-8H2,1-3H3
InChIKeyFMRXFURZISRXQX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.69
Rot. Bonds5

About N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine

N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine (PubChem CID 72846992) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine
PubChem CID72846992
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine
SMILESCC(C)Cc1noc(CN(C)c2ncccn2)n1
InChIInChI=1S/C12H17N5O/c1-9(2)7-10-15-11(18-16-10)8-17(3)12-13-5-4-6-14-12/h4-6,9H,7-8H2,1-3H3
InChIKeyFMRXFURZISRXQX-UHFFFAOYSA-N
XLogP1.69
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine (CID 72846992) is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine is CC(C)Cc1noc(CN(C)c2ncccn2)n1.
What is the InChIKey of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine?
The InChIKey is FMRXFURZISRXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(2)7-10-15-11(18-16-10)8-17(3)12-13-5-4-6-14-12/h4-6,9H,7-8H2,1-3H3.
What are the key properties of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine?
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 72846992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).