2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione

C10H14N2S — CID 106476099

IUPAC2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(CC2CC2)[nH]1
InChIInChI=1S/C10H14N2S/c1-2-8-6-10(13)12-9(11-8)5-7-3-4-7/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyWWQKKHSHFAMRJC-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.65
Rot. Bonds3

About 2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione

2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione (PubChem CID 106476099) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione
PubChem CID106476099
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(CC2CC2)[nH]1
InChIInChI=1S/C10H14N2S/c1-2-8-6-10(13)12-9(11-8)5-7-3-4-7/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyWWQKKHSHFAMRJC-UHFFFAOYSA-N
XLogP2.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.65
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

6-propan-2-yl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106475352
6-cyclopropyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106478363
6-cyclopropyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106478390
6-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106481297
6-(2-methylpropyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106481324
2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 94077036
2-cyclopropyl-6-ethyl-1H-pyrimidine-4-thione
CID 121602234
2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione
CID 68001654
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
2-Methyl-6-propyl-pyrimidine-4-thiol
CID 94077037

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione (CID 106476099) is 2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione is CCc1cc(=S)nc(CC2CC2)[nH]1.
What is the InChIKey of 2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione?
The InChIKey is WWQKKHSHFAMRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-8-6-10(13)12-9(11-8)5-7-3-4-7/h6-7H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione?
2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione has a molecular weight of 194.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).