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

C16H21ClN6O — CID 163343876

IUPAC5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C16H21ClN6O/c1-22(16-18-8-12(17)9-19-16)13-4-6-23(7-5-13)10-14-20-21-15(24-14)11-2-3-11/h8-9,11,13H,2-7,10H2,1H3
InChIKeyWJDWOUODTUEBDH-UHFFFAOYSA-N
MW348.84 g/mol
LogP2.49
Rot. Bonds5

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

5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine (PubChem CID 163343876) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is 5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
PubChem CID163343876
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC Name5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C16H21ClN6O/c1-22(16-18-8-12(17)9-19-16)13-4-6-23(7-5-13)10-14-20-21-15(24-14)11-2-3-11/h8-9,11,13H,2-7,10H2,1H3
InChIKeyWJDWOUODTUEBDH-UHFFFAOYSA-N
XLogP2.49
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine (CID 163343876) is 5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine is CN(c1ncc(Cl)cn1)C1CCN(Cc2nnc(C3CC3)o2)CC1.
What is the InChIKey of 5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
The InChIKey is WJDWOUODTUEBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O/c1-22(16-18-8-12(17)9-19-16)13-4-6-23(7-5-13)10-14-20-21-15(24-14)11-2-3-11/h8-9,11,13H,2-7,10H2,1H3.
What are the key properties of 5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine has a molecular weight of 348.84 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 163343876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).