N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H22N6O — CID 71933051

IUPACN-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nc(CN2CCCC(Nc3ncnc4c3CCC4)C2)no1
InChIInChI=1S/C16H22N6O/c1-11-19-15(21-23-11)9-22-7-3-4-12(8-22)20-16-13-5-2-6-14(13)17-10-18-16/h10,12H,2-9H2,1H3,(H,17,18,20)
InChIKeyNDTCGSHTAHRRPZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.73
Rot. Bonds4

About N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 71933051) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID71933051
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nc(CN2CCCC(Nc3ncnc4c3CCC4)C2)no1
InChIInChI=1S/C16H22N6O/c1-11-19-15(21-23-11)9-22-7-3-4-12(8-22)20-16-13-5-2-6-14(13)17-10-18-16/h10,12H,2-9H2,1H3,(H,17,18,20)
InChIKeyNDTCGSHTAHRRPZ-UHFFFAOYSA-N
XLogP1.73
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 71933051) is N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1nc(CN2CCCC(Nc3ncnc4c3CCC4)C2)no1.
What is the InChIKey of N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is NDTCGSHTAHRRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-19-15(21-23-11)9-22-7-3-4-12(8-22)20-16-13-5-2-6-14(13)17-10-18-16/h10,12H,2-9H2,1H3,(H,17,18,20).
What are the key properties of N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 314.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 71933051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).