2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol

C14H25N3OS — CID 64819456

IUPAC2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCSc1ncc(C)cn1
InChIInChI=1S/C14H25N3OS/c1-4-7-17-14(3,11-18)6-5-8-19-13-15-9-12(2)10-16-13/h9-10,17-18H,4-8,11H2,1-3H3
InChIKeyHACOVOHDWPBALL-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.41
Rot. Bonds9

About 2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol

2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol (PubChem CID 64819456) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol
PubChem CID64819456
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCSc1ncc(C)cn1
InChIInChI=1S/C14H25N3OS/c1-4-7-17-14(3,11-18)6-5-8-19-13-15-9-12(2)10-16-13/h9-10,17-18H,4-8,11H2,1-3H3
InChIKeyHACOVOHDWPBALL-UHFFFAOYSA-N
XLogP2.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol (CID 64819456) is 2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCSc1ncc(C)cn1.
What is the InChIKey of 2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol?
The InChIKey is HACOVOHDWPBALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-7-17-14(3,11-18)6-5-8-19-13-15-9-12(2)10-16-13/h9-10,17-18H,4-8,11H2,1-3H3.
What are the key properties of 2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol?
2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64819456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).