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

C14H19ClN6O — CID 155942370

IUPAC5-chloro-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1nnc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)o1
InChIInChI=1S/C14H19ClN6O/c1-10-18-19-13(22-10)9-21-5-3-12(4-6-21)20(2)14-16-7-11(15)8-17-14/h7-8,12H,3-6,9H2,1-2H3
InChIKeyWMDCIFGAZRRWBC-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.92
Rot. Bonds4

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

5-chloro-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 155942370) has the molecular formula C14H19ClN6O and a molecular weight of 322.80 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID155942370
Molecular FormulaC14H19ClN6O
Molecular Weight322.80 g/mol
Exact Mass322.13
IUPAC Name5-chloro-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1nnc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)o1
InChIInChI=1S/C14H19ClN6O/c1-10-18-19-13(22-10)9-21-5-3-12(4-6-21)20(2)14-16-7-11(15)8-17-14/h7-8,12H,3-6,9H2,1-2H3
InChIKeyWMDCIFGAZRRWBC-UHFFFAOYSA-N
XLogP1.92
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.92
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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine (CID 155942370) is 5-chloro-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine is Cc1nnc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)o1.
What is the InChIKey of 5-chloro-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is WMDCIFGAZRRWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O/c1-10-18-19-13(22-10)9-21-5-3-12(4-6-21)20(2)14-16-7-11(15)8-17-14/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
5-chloro-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 322.80 g/mol, XLogP of 1.92, 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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 155942370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).