2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine

C10H14ClN3OS — CID 63119715

IUPAC2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(SCC2CCCC2)n1
InChIInChI=1S/C10H14ClN3OS/c1-15-9-12-8(11)13-10(14-9)16-6-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyDBXYSKJGYLIWLC-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.82
Rot. Bonds4

About 2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine

2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine (PubChem CID 63119715) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine
PubChem CID63119715
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(SCC2CCCC2)n1
InChIInChI=1S/C10H14ClN3OS/c1-15-9-12-8(11)13-10(14-9)16-6-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyDBXYSKJGYLIWLC-UHFFFAOYSA-N
XLogP2.82
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 175575169
CID 175575169
CID 55124135
CID 55124135
CID 55124271
CID 55124271
CID 55177537
CID 55177537
CID 62859027
CID 62859027
CID 62859191
CID 62859191
CID 62859364
CID 62859364
CID 62859366
CID 62859366
CID 63115002
CID 63115002
CID 63115014
CID 63115014
CID 63119691
CID 63119691
CID 63119703
CID 63119703

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine (CID 63119715) is 2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(SCC2CCCC2)n1.
What is the InChIKey of 2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine?
The InChIKey is DBXYSKJGYLIWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-15-9-12-8(11)13-10(14-9)16-6-7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of 2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine?
2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine has a molecular weight of 259.76 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(cyclopentylmethylsulfanyl)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 63119715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).