4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine

C17H16Cl2N6O — CID 133285071

IUPAC4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCCC(c3nc(-c4ccc(Cl)cc4)no3)C2)n1
InChIInChI=1S/C17H16Cl2N6O/c18-12-5-3-10(4-6-12)15-23-16(26-24-15)11-2-1-7-25(9-11)14-8-13(19)21-17(20)22-14/h3-6,8,11H,1-2,7,9H2,(H2,20,21,22)
InChIKeyPPNMMKAJOXNKNG-UHFFFAOYSA-N
MW391.26 g/mol
LogP3.80
Rot. Bonds3

About 4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine

4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 133285071) has the molecular formula C17H16Cl2N6O and a molecular weight of 391.26 g/mol. Its IUPAC name is 4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID133285071
Molecular FormulaC17H16Cl2N6O
Molecular Weight391.26 g/mol
Exact Mass390.08
IUPAC Name4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCCC(c3nc(-c4ccc(Cl)cc4)no3)C2)n1
InChIInChI=1S/C17H16Cl2N6O/c18-12-5-3-10(4-6-12)15-23-16(26-24-15)11-2-1-7-25(9-11)14-8-13(19)21-17(20)22-14/h3-6,8,11H,1-2,7,9H2,(H2,20,21,22)
InChIKeyPPNMMKAJOXNKNG-UHFFFAOYSA-N
XLogP3.80
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine with MolForge

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Related Compounds

5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133497526
3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133482760
3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole
CID 95276072
2-amino-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 119314824
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 3294167
3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133285082
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 3226157
(2R)-2-amino-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 119314838
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 3953724
(2S)-2-[(3S)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 95154548
3-(4-chlorophenyl)-5-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 119931294
3-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanoic acid
CID 119921434

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine (CID 133285071) is 4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine is Nc1nc(Cl)cc(N2CCCC(c3nc(-c4ccc(Cl)cc4)no3)C2)n1.
What is the InChIKey of 4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is PPNMMKAJOXNKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6O/c18-12-5-3-10(4-6-12)15-23-16(26-24-15)11-2-1-7-25(9-11)14-8-13(19)21-17(20)22-14/h3-6,8,11H,1-2,7,9H2,(H2,20,21,22).
What are the key properties of 4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine?
4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 391.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 133285071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).