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

C13H19N5O2 — CID 50951720

IUPAC6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine
SMILESCOc1cc(N(C)Cc2noc(CC(C)C)n2)ncn1
InChIInChI=1S/C13H19N5O2/c1-9(2)5-13-16-10(17-20-13)7-18(3)11-6-12(19-4)15-8-14-11/h6,8-9H,5,7H2,1-4H3
InChIKeyNWCLLLREHSHODZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.70
Rot. Bonds6

About 6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine

6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine (PubChem CID 50951720) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine
PubChem CID50951720
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine
SMILESCOc1cc(N(C)Cc2noc(CC(C)C)n2)ncn1
InChIInChI=1S/C13H19N5O2/c1-9(2)5-13-16-10(17-20-13)7-18(3)11-6-12(19-4)15-8-14-11/h6,8-9H,5,7H2,1-4H3
InChIKeyNWCLLLREHSHODZ-UHFFFAOYSA-N
XLogP1.70
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine (CID 50951720) is 6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine is COc1cc(N(C)Cc2noc(CC(C)C)n2)ncn1.
What is the InChIKey of 6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is NWCLLLREHSHODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9(2)5-13-16-10(17-20-13)7-18(3)11-6-12(19-4)15-8-14-11/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine?
6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 277.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 50951720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).