4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol

C10H17N3OS — CID 79176670

IUPAC4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol
SMILESCc1cc(N)nc(SCCC(C)(C)O)n1
InChIInChI=1S/C10H17N3OS/c1-7-6-8(11)13-9(12-7)15-5-4-10(2,3)14/h6,14H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyZZBHNAUMJVOAKK-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.62
Rot. Bonds4

About 4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol

4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol (PubChem CID 79176670) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol
PubChem CID79176670
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol
SMILESCc1cc(N)nc(SCCC(C)(C)O)n1
InChIInChI=1S/C10H17N3OS/c1-7-6-8(11)13-9(12-7)15-5-4-10(2,3)14/h6,14H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyZZBHNAUMJVOAKK-UHFFFAOYSA-N
XLogP1.62
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol?
The IUPAC name of 4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol (CID 79176670) is 4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol is Cc1cc(N)nc(SCCC(C)(C)O)n1.
What is the InChIKey of 4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol?
The InChIKey is ZZBHNAUMJVOAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-6-8(11)13-9(12-7)15-5-4-10(2,3)14/h6,14H,4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of 4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol?
4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol is sourced from PubChem (CID 79176670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).