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

C8H10N2S — CID 106476349

IUPAC2-(cyclopropylmethyl)-1H-pyrimidine-6-thione
SMILESS=c1ccnc(CC2CC2)[nH]1
InChIInChI=1S/C8H10N2S/c11-8-3-4-9-7(10-8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,9,10,11)
InChIKeyPVECBOHPQCBWQG-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.09
Rot. Bonds2

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

2-(cyclopropylmethyl)-1H-pyrimidine-6-thione (PubChem CID 106476349) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1H-pyrimidine-6-thione
PubChem CID106476349
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-(cyclopropylmethyl)-1H-pyrimidine-6-thione
SMILESS=c1ccnc(CC2CC2)[nH]1
InChIInChI=1S/C8H10N2S/c11-8-3-4-9-7(10-8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,9,10,11)
InChIKeyPVECBOHPQCBWQG-UHFFFAOYSA-N
XLogP2.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.09
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 2-(cyclopropylmethyl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(cyclopropylmethyl)-1H-pyrimidine-6-thione (CID 106476349) is 2-(cyclopropylmethyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(cyclopropylmethyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(cyclopropylmethyl)-1H-pyrimidine-6-thione is S=c1ccnc(CC2CC2)[nH]1.
What is the InChIKey of 2-(cyclopropylmethyl)-1H-pyrimidine-6-thione?
The InChIKey is PVECBOHPQCBWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c11-8-3-4-9-7(10-8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,9,10,11).
What are the key properties of 2-(cyclopropylmethyl)-1H-pyrimidine-6-thione?
2-(cyclopropylmethyl)-1H-pyrimidine-6-thione has a molecular weight of 166.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).