4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine

C19H32N4S2 — CID 13310869

IUPAC4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine
SMILESCc1cc(SCCN2CCCCC2)nc(SCCN2CCCCC2)n1
InChIInChI=1S/C19H32N4S2/c1-17-16-18(24-14-12-22-8-4-2-5-9-22)21-19(20-17)25-15-13-23-10-6-3-7-11-23/h16H,2-15H2,1H3
InChIKeyDPBXYFDDDPUFAL-UHFFFAOYSA-N
MW380.63 g/mol
LogP3.94
Rot. Bonds8

About 4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine

4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine (PubChem CID 13310869) has the molecular formula C19H32N4S2 and a molecular weight of 380.63 g/mol. Its IUPAC name is 4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine
PubChem CID13310869
Molecular FormulaC19H32N4S2
Molecular Weight380.63 g/mol
Exact Mass380.21
IUPAC Name4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine
SMILESCc1cc(SCCN2CCCCC2)nc(SCCN2CCCCC2)n1
InChIInChI=1S/C19H32N4S2/c1-17-16-18(24-14-12-22-8-4-2-5-9-22)21-19(20-17)25-15-13-23-10-6-3-7-11-23/h16H,2-15H2,1H3
InChIKeyDPBXYFDDDPUFAL-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine?
The IUPAC name of 4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine (CID 13310869) is 4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine.
What is the SMILES notation for 4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine?
The canonical SMILES for 4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine is Cc1cc(SCCN2CCCCC2)nc(SCCN2CCCCC2)n1.
What is the InChIKey of 4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine?
The InChIKey is DPBXYFDDDPUFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4S2/c1-17-16-18(24-14-12-22-8-4-2-5-9-22)21-19(20-17)25-15-13-23-10-6-3-7-11-23/h16H,2-15H2,1H3.
What are the key properties of 4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine?
4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine has a molecular weight of 380.63 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine is sourced from PubChem (CID 13310869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).