N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

C16H22N6O — CID 163319351

IUPACN,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCc1nc(N2CCCC3(CCc4cnc(N(C)C)nc43)C2)no1
InChIInChI=1S/C16H22N6O/c1-11-18-15(20-23-11)22-8-4-6-16(10-22)7-5-12-9-17-14(21(2)3)19-13(12)16/h9H,4-8,10H2,1-3H3
InChIKeyMMPKVAPWJDUERG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.72
Rot. Bonds2

About N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (PubChem CID 163319351) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
PubChem CID163319351
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCc1nc(N2CCCC3(CCc4cnc(N(C)C)nc43)C2)no1
InChIInChI=1S/C16H22N6O/c1-11-18-15(20-23-11)22-8-4-6-16(10-22)7-5-12-9-17-14(21(2)3)19-13(12)16/h9H,4-8,10H2,1-3H3
InChIKeyMMPKVAPWJDUERG-UHFFFAOYSA-N
XLogP1.72
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The IUPAC name of N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (CID 163319351) is N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.
What is the SMILES notation for N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The canonical SMILES for N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is Cc1nc(N2CCCC3(CCc4cnc(N(C)C)nc43)C2)no1.
What is the InChIKey of N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The InChIKey is MMPKVAPWJDUERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-18-15(20-23-11)22-8-4-6-16(10-22)7-5-12-9-17-14(21(2)3)19-13(12)16/h9H,4-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine has a molecular weight of 314.39 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is sourced from PubChem (CID 163319351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).