2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione

C10H14N2S — CID 106476899

IUPAC2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CC2)nc1=S
InChIInChI=1S/C10H14N2S/c1-3-8-6(2)11-9(7-4-5-7)12-10(8)13/h7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyRQPKMRUSALXOOL-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.89
Rot. Bonds2

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

2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476899) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476899
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CC2)nc1=S
InChIInChI=1S/C10H14N2S/c1-3-8-6(2)11-9(7-4-5-7)12-10(8)13/h7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyRQPKMRUSALXOOL-UHFFFAOYSA-N
XLogP2.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.89
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
2-Cyclopropyl-4-mercapto-6-methylpyrimidine-5-carbonitrile
CID 28818768
5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
CID 106517865
2-cyclopropyl-6-ethyl-1H-pyrimidine-4-thione
CID 121602234
5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione
CID 82505499
6-ethyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077023
2-propan-2-yl-6-propyl-1H-pyrimidine-4-thione
CID 94077025

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 106476899) is 2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C2CC2)nc1=S.
What is the InChIKey of 2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is RQPKMRUSALXOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-8-6(2)11-9(7-4-5-7)12-10(8)13/h7H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 194.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).