2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol

C10H17N3OS — CID 106973458

IUPAC2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
SMILESCSc1cc(N(C)CC(C)(C)O)ncn1
InChIInChI=1S/C10H17N3OS/c1-10(2,14)6-13(3)8-5-9(15-4)12-7-11-8/h5,7,14H,6H2,1-4H3
InChIKeyQOLNFLDNTUVVBQ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.41
Rot. Bonds4

About 2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol

2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol (PubChem CID 106973458) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
PubChem CID106973458
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
SMILESCSc1cc(N(C)CC(C)(C)O)ncn1
InChIInChI=1S/C10H17N3OS/c1-10(2,14)6-13(3)8-5-9(15-4)12-7-11-8/h5,7,14H,6H2,1-4H3
InChIKeyQOLNFLDNTUVVBQ-UHFFFAOYSA-N
XLogP1.41
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol (CID 106973458) is 2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol is CSc1cc(N(C)CC(C)(C)O)ncn1.
What is the InChIKey of 2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is QOLNFLDNTUVVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-10(2,14)6-13(3)8-5-9(15-4)12-7-11-8/h5,7,14H,6H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol?
2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 106973458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).