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

C13H17N5O2 — CID 72904330

IUPACN,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(N(C)C)ncc1-c1nc(C2CCOC2)no1
InChIInChI=1S/C13H17N5O2/c1-8-10(6-14-13(15-8)18(2)3)12-16-11(17-20-12)9-4-5-19-7-9/h6,9H,4-5,7H2,1-3H3
InChIKeyDTGUPCIXLJTANH-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.40
Rot. Bonds3

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

N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine (PubChem CID 72904330) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine
PubChem CID72904330
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(N(C)C)ncc1-c1nc(C2CCOC2)no1
InChIInChI=1S/C13H17N5O2/c1-8-10(6-14-13(15-8)18(2)3)12-16-11(17-20-12)9-4-5-19-7-9/h6,9H,4-5,7H2,1-3H3
InChIKeyDTGUPCIXLJTANH-UHFFFAOYSA-N
XLogP1.40
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
5-(5-methylpyrazin-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916447
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72861127
3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 97445273
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
N,N-dimethyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 97433611
4-methyl-2-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678833
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925
5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97454544
5-(4-methoxy-3,5-dimethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436599
N-ethyl-N-[[5-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine
CID 97444578

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine (CID 72904330) is N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine is Cc1nc(N(C)C)ncc1-c1nc(C2CCOC2)no1.
What is the InChIKey of N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine?
The InChIKey is DTGUPCIXLJTANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8-10(6-14-13(15-8)18(2)3)12-16-11(17-20-12)9-4-5-19-7-9/h6,9H,4-5,7H2,1-3H3.
What are the key properties of N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine?
N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine has a molecular weight of 275.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 72904330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).