5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C13H18ClN7O — CID 133497526

IUPAC5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CCCN(c3cc(Cl)nc(N)n3)C2)n1
InChIInChI=1S/C13H18ClN7O/c1-20(2)13-18-11(22-19-13)8-4-3-5-21(7-8)10-6-9(14)16-12(15)17-10/h6,8H,3-5,7H2,1-2H3,(H2,15,16,17)
InChIKeyZCMCKJWBVCENCB-UHFFFAOYSA-N
MW323.79 g/mol
LogP1.55
Rot. Bonds3

About 5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 133497526) has the molecular formula C13H18ClN7O and a molecular weight of 323.79 g/mol. Its IUPAC name is 5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID133497526
Molecular FormulaC13H18ClN7O
Molecular Weight323.79 g/mol
Exact Mass323.13
IUPAC Name5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CCCN(c3cc(Cl)nc(N)n3)C2)n1
InChIInChI=1S/C13H18ClN7O/c1-20(2)13-18-11(22-19-13)8-4-3-5-21(7-8)10-6-9(14)16-12(15)17-10/h6,8H,3-5,7H2,1-2H3,(H2,15,16,17)
InChIKeyZCMCKJWBVCENCB-UHFFFAOYSA-N
XLogP1.55
TPSA97.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine
CID 133285071
4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine
CID 31537614
2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 164640811
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
CID 47151307
N,N-dimethyl-5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine
CID 124889277
5-[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133497568
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
CID 80735813
5-[1-(2,6-difluoro-4-nitrophenyl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133497528
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339
N,N-dimethyl-5-[1-(3-methyl-4-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine
CID 133497627
N,N-dimethyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazol-3-amine
CID 133497553
N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine
CID 133497591

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 133497526) is 5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(C2CCCN(c3cc(Cl)nc(N)n3)C2)n1.
What is the InChIKey of 5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is ZCMCKJWBVCENCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN7O/c1-20(2)13-18-11(22-19-13)8-4-3-5-21(7-8)10-6-9(14)16-12(15)17-10/h6,8H,3-5,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 323.79 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133497526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).