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

C11H16N2S — CID 106475085

IUPAC2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(CC2CC2)[nH]1
InChIInChI=1S/C11H16N2S/c1-2-3-9-7-11(14)13-10(12-9)6-8-4-5-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyABFBENFLWNEFRF-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.04
Rot. Bonds4

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

2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475085) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475085
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(CC2CC2)[nH]1
InChIInChI=1S/C11H16N2S/c1-2-3-9-7-11(14)13-10(12-9)6-8-4-5-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyABFBENFLWNEFRF-UHFFFAOYSA-N
XLogP3.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-Ethyl-6-isopropyl-pyrimidine-4-thiol
CID 94077046

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione (CID 106475085) is 2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(CC2CC2)[nH]1.
What is the InChIKey of 2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is ABFBENFLWNEFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-2-3-9-7-11(14)13-10(12-9)6-8-4-5-8/h7-8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione?
2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 208.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).