4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol

C14H25N3OS — CID 64808384

IUPAC4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCc1cc(C)nc(SCCC(C)(CO)NC(C)C)n1
InChIInChI=1S/C14H25N3OS/c1-10(2)17-14(5,9-18)6-7-19-13-15-11(3)8-12(4)16-13/h8,10,17-18H,6-7,9H2,1-5H3
InChIKeyBWFHIBDRVZHWEO-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.32
Rot. Bonds7

About 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol

4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64808384) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID64808384
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCc1cc(C)nc(SCCC(C)(CO)NC(C)C)n1
InChIInChI=1S/C14H25N3OS/c1-10(2)17-14(5,9-18)6-7-19-13-15-11(3)8-12(4)16-13/h8,10,17-18H,6-7,9H2,1-5H3
InChIKeyBWFHIBDRVZHWEO-UHFFFAOYSA-N
XLogP2.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol (CID 64808384) is 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol is Cc1cc(C)nc(SCCC(C)(CO)NC(C)C)n1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is BWFHIBDRVZHWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10(2)17-14(5,9-18)6-7-19-13-15-11(3)8-12(4)16-13/h8,10,17-18H,6-7,9H2,1-5H3.
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol?
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64808384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).