6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine

C18H19N5O2 — CID 50956291

IUPAC6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine
SMILESCc1cc(NCc2noc(C3CCCO3)n2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H19N5O2/c1-12-10-15(21-17(20-12)13-6-3-2-4-7-13)19-11-16-22-18(25-23-16)14-8-5-9-24-14/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,19,20,21)
InChIKeySXUZYNYRMOQRSC-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.30
Rot. Bonds5

About 6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine

6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine (PubChem CID 50956291) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine
PubChem CID50956291
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine
SMILESCc1cc(NCc2noc(C3CCCO3)n2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H19N5O2/c1-12-10-15(21-17(20-12)13-6-3-2-4-7-13)19-11-16-22-18(25-23-16)14-8-5-9-24-14/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,19,20,21)
InChIKeySXUZYNYRMOQRSC-UHFFFAOYSA-N
XLogP3.30
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine (CID 50956291) is 6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine is Cc1cc(NCc2noc(C3CCCO3)n2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine?
The InChIKey is SXUZYNYRMOQRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-10-15(21-17(20-12)13-6-3-2-4-7-13)19-11-16-22-18(25-23-16)14-8-5-9-24-14/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,19,20,21).
What are the key properties of 6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine?
6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine has a molecular weight of 337.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 50956291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).