N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine

C16H18N6O — CID 74248691

IUPACN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCC(C)c1noc(CCNc2nccc(-c3ccccn3)n2)n1
InChIInChI=1S/C16H18N6O/c1-11(2)15-21-14(23-22-15)7-10-19-16-18-9-6-13(20-16)12-5-3-4-8-17-12/h3-6,8-9,11H,7,10H2,1-2H3,(H,18,19,20)
InChIKeyQQXONTDCBQQGBN-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.70
Rot. Bonds6

About N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine

N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 74248691) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID74248691
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCC(C)c1noc(CCNc2nccc(-c3ccccn3)n2)n1
InChIInChI=1S/C16H18N6O/c1-11(2)15-21-14(23-22-15)7-10-19-16-18-9-6-13(20-16)12-5-3-4-8-17-12/h3-6,8-9,11H,7,10H2,1-2H3,(H,18,19,20)
InChIKeyQQXONTDCBQQGBN-UHFFFAOYSA-N
XLogP2.70
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine (CID 74248691) is N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine is CC(C)c1noc(CCNc2nccc(-c3ccccn3)n2)n1.
What is the InChIKey of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is QQXONTDCBQQGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11(2)15-21-14(23-22-15)7-10-19-16-18-9-6-13(20-16)12-5-3-4-8-17-12/h3-6,8-9,11H,7,10H2,1-2H3,(H,18,19,20).
What are the key properties of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine?
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 310.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 74248691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).