2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione

C11H18N2S — CID 106477017

IUPAC2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C(C)CC)nc1=S
InChIInChI=1S/C11H18N2S/c1-5-7(3)10-12-8(4)9(6-2)11(14)13-10/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyRDVIPLRSKIMTLI-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.52
Rot. Bonds3

About 2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione

2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106477017) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106477017
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C(C)CC)nc1=S
InChIInChI=1S/C11H18N2S/c1-5-7(3)10-12-8(4)9(6-2)11(14)13-10/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyRDVIPLRSKIMTLI-UHFFFAOYSA-N
XLogP3.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106476847
5-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106476876
6-methyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106477861
6-ethyl-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106478111
6-ethyl-5-methyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106478136
6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 113839304
5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
CID 106517865
2-cyclopropyl-6-ethyl-1H-pyrimidine-4-thione
CID 121602234
6-ethyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077023
2,6-Diisopropyl-pyrimidine-4-thiol
CID 94077024
2-propan-2-yl-6-propyl-1H-pyrimidine-4-thione
CID 94077025
5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077026

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 106477017) is 2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C(C)CC)nc1=S.
What is the InChIKey of 2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is RDVIPLRSKIMTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-5-7(3)10-12-8(4)9(6-2)11(14)13-10/h7H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 210.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).