6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione

C10H14N2OS — CID 106475758

IUPAC6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2(C)CCCO2)[nH]1
InChIInChI=1S/C10H14N2OS/c1-7-6-8(14)12-9(11-7)10(2)4-3-5-13-10/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyNEJCKWVDWKRLLC-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.47
Rot. Bonds1

About 6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione

6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106475758) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione
PubChem CID106475758
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2(C)CCCO2)[nH]1
InChIInChI=1S/C10H14N2OS/c1-7-6-8(14)12-9(11-7)10(2)4-3-5-13-10/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyNEJCKWVDWKRLLC-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethoxycyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475218
2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475256
2-(oxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475278
2-(2-methyloxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475510
2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475529
2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475574
6-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106475594
2-(2-ethoxybutan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475603
2-(3-ethoxypentan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475683
2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475684
2-(1-ethoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475723
6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 106475781

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione (CID 106475758) is 6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C2(C)CCCO2)[nH]1.
What is the InChIKey of 6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is NEJCKWVDWKRLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7-6-8(14)12-9(11-7)10(2)4-3-5-13-10/h6H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of 6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione?
6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 210.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).