6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione

C11H16N2S — CID 106478175

IUPAC6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C2(C)CC2)nc(=S)c1C
InChIInChI=1S/C11H16N2S/c1-4-8-7(2)9(14)13-10(12-8)11(3)5-6-11/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyNYKXPQKUWOJDBB-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.06
Rot. Bonds2

About 6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione

6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione (PubChem CID 106478175) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
PubChem CID106478175
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C2(C)CC2)nc(=S)c1C
InChIInChI=1S/C11H16N2S/c1-4-8-7(2)9(14)13-10(12-8)11(3)5-6-11/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyNYKXPQKUWOJDBB-UHFFFAOYSA-N
XLogP3.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione (CID 106478175) is 6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione is CCc1[nH]c(C2(C)CC2)nc(=S)c1C.
What is the InChIKey of 6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione?
The InChIKey is NYKXPQKUWOJDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-4-8-7(2)9(14)13-10(12-8)11(3)5-6-11/h4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione?
6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione has a molecular weight of 208.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).