4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine

C21H21ClN4OS — CID 23881442

IUPAC4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine
SMILESO=S(Cc1cc(N2CCCCC2)nc(-c2ccccn2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4OS/c22-16-7-9-18(10-8-16)28(27)15-17-14-20(26-12-4-1-5-13-26)25-21(24-17)19-6-2-3-11-23-19/h2-3,6-11,14H,1,4-5,12-13,15H2
InChIKeyFRVGSQGVLSJOQI-UHFFFAOYSA-N
MW412.95 g/mol
LogP4.49
Rot. Bonds5

About 4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine

4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine (PubChem CID 23881442) has the molecular formula C21H21ClN4OS and a molecular weight of 412.95 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine
PubChem CID23881442
Molecular FormulaC21H21ClN4OS
Molecular Weight412.95 g/mol
Exact Mass412.11
IUPAC Name4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine
SMILESO=S(Cc1cc(N2CCCCC2)nc(-c2ccccn2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4OS/c22-16-7-9-18(10-8-16)28(27)15-17-14-20(26-12-4-1-5-13-26)25-21(24-17)19-6-2-3-11-23-19/h2-3,6-11,14H,1,4-5,12-13,15H2
InChIKeyFRVGSQGVLSJOQI-UHFFFAOYSA-N
XLogP4.49
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.95
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine (CID 23881442) is 4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine is O=S(Cc1cc(N2CCCCC2)nc(-c2ccccn2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine?
The InChIKey is FRVGSQGVLSJOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4OS/c22-16-7-9-18(10-8-16)28(27)15-17-14-20(26-12-4-1-5-13-26)25-21(24-17)19-6-2-3-11-23-19/h2-3,6-11,14H,1,4-5,12-13,15H2.
What are the key properties of 4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine?
4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine has a molecular weight of 412.95 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 23881442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).