2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol

C15H25N3OS — CID 139472192

IUPAC2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol
SMILESCCc1ccnc(CC)c1CSC1NC(C)CC(O)N1
InChIInChI=1S/C15H25N3OS/c1-4-11-6-7-16-13(5-2)12(11)9-20-15-17-10(3)8-14(19)18-15/h6-7,10,14-15,17-19H,4-5,8-9H2,1-3H3
InChIKeySDJUASLIYFRHFM-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.01
Rot. Bonds5

About 2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol

2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol (PubChem CID 139472192) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol.

Molecular Properties

Compound Name2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol
PubChem CID139472192
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol
SMILESCCc1ccnc(CC)c1CSC1NC(C)CC(O)N1
InChIInChI=1S/C15H25N3OS/c1-4-11-6-7-16-13(5-2)12(11)9-20-15-17-10(3)8-14(19)18-15/h6-7,10,14-15,17-19H,4-5,8-9H2,1-3H3
InChIKeySDJUASLIYFRHFM-UHFFFAOYSA-N
XLogP2.01
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol?
The IUPAC name of 2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol (CID 139472192) is 2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol.
What is the SMILES notation for 2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol?
The canonical SMILES for 2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol is CCc1ccnc(CC)c1CSC1NC(C)CC(O)N1.
What is the InChIKey of 2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol?
The InChIKey is SDJUASLIYFRHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-4-11-6-7-16-13(5-2)12(11)9-20-15-17-10(3)8-14(19)18-15/h6-7,10,14-15,17-19H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol?
2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol has a molecular weight of 295.45 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-ol is sourced from PubChem (CID 139472192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).