3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine

C16H20ClN5 — CID 122141204

IUPAC3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3ncccc3Cl)CC2)nc(C)n1
InChIInChI=1S/C16H20ClN5/c1-11-10-15(20-12(2)19-11)22-8-5-13(6-9-22)21-16-14(17)4-3-7-18-16/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H,18,21)
InChIKeyJTFGHCLGMJJMOW-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.22
Rot. Bonds3

About 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine

3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine (PubChem CID 122141204) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
PubChem CID122141204
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC Name3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3ncccc3Cl)CC2)nc(C)n1
InChIInChI=1S/C16H20ClN5/c1-11-10-15(20-12(2)19-11)22-8-5-13(6-9-22)21-16-14(17)4-3-7-18-16/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H,18,21)
InChIKeyJTFGHCLGMJJMOW-UHFFFAOYSA-N
XLogP3.22
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine (CID 122141204) is 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine is Cc1cc(N2CCC(Nc3ncccc3Cl)CC2)nc(C)n1.
What is the InChIKey of 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine?
The InChIKey is JTFGHCLGMJJMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-11-10-15(20-12(2)19-11)22-8-5-13(6-9-22)21-16-14(17)4-3-7-18-16/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H,18,21).
What are the key properties of 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine?
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine has a molecular weight of 317.82 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 122141204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).