5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine

C13H17ClN6O — CID 163354531

IUPAC5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(Cc2nnco2)CC1
InChIInChI=1S/C13H17ClN6O/c1-19(13-15-6-10(14)7-16-13)11-2-4-20(5-3-11)8-12-18-17-9-21-12/h6-7,9,11H,2-5,8H2,1H3
InChIKeySKAOGMAJIVIION-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.61
Rot. Bonds4

About 5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine

5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 163354531) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID163354531
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(Cc2nnco2)CC1
InChIInChI=1S/C13H17ClN6O/c1-19(13-15-6-10(14)7-16-13)11-2-4-20(5-3-11)8-12-18-17-9-21-12/h6-7,9,11H,2-5,8H2,1H3
InChIKeySKAOGMAJIVIION-UHFFFAOYSA-N
XLogP1.61
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine (CID 163354531) is 5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine is CN(c1ncc(Cl)cn1)C1CCN(Cc2nnco2)CC1.
What is the InChIKey of 5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is SKAOGMAJIVIION-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-19(13-15-6-10(14)7-16-13)11-2-4-20(5-3-11)8-12-18-17-9-21-12/h6-7,9,11H,2-5,8H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 308.77 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 163354531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).