2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione

C10H14N2OS — CID 106476347

IUPAC2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione
SMILESCC1(c2nccc(=S)[nH]2)CCCCO1
InChIInChI=1S/C10H14N2OS/c1-10(5-2-3-7-13-10)9-11-6-4-8(14)12-9/h4,6H,2-3,5,7H2,1H3,(H,11,12,14)
InChIKeyGATRSHDRYUYMCK-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.55
Rot. Bonds1

About 2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione

2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione (PubChem CID 106476347) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione
PubChem CID106476347
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione
SMILESCC1(c2nccc(=S)[nH]2)CCCCO1
InChIInChI=1S/C10H14N2OS/c1-10(5-2-3-7-13-10)9-11-6-4-8(14)12-9/h4,6H,2-3,5,7H2,1H3,(H,11,12,14)
InChIKeyGATRSHDRYUYMCK-UHFFFAOYSA-N
XLogP2.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione (CID 106476347) is 2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione is CC1(c2nccc(=S)[nH]2)CCCCO1.
What is the InChIKey of 2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione?
The InChIKey is GATRSHDRYUYMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-10(5-2-3-7-13-10)9-11-6-4-8(14)12-9/h4,6H,2-3,5,7H2,1H3,(H,11,12,14).
What are the key properties of 2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione?
2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione has a molecular weight of 210.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxan-2-yl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).