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

C9H14N2OS — CID 106476411

IUPAC2-(1-ethoxypropyl)-1H-pyrimidine-6-thione
SMILESCCOC(CC)c1nccc(=S)[nH]1
InChIInChI=1S/C9H14N2OS/c1-3-7(12-4-2)9-10-6-5-8(13)11-9/h5-7H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyRDCFEVMSBACYTN-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.63
Rot. Bonds4

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

2-(1-ethoxypropyl)-1H-pyrimidine-6-thione (PubChem CID 106476411) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-1H-pyrimidine-6-thione
PubChem CID106476411
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(1-ethoxypropyl)-1H-pyrimidine-6-thione
SMILESCCOC(CC)c1nccc(=S)[nH]1
InChIInChI=1S/C9H14N2OS/c1-3-7(12-4-2)9-10-6-5-8(13)11-9/h5-7H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyRDCFEVMSBACYTN-UHFFFAOYSA-N
XLogP2.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione
CID 170028072
2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione
CID 106476313
2-(propoxymethyl)-1H-pyrimidine-6-thione
CID 106476335
2-(3-methoxypropyl)-1H-pyrimidine-6-thione
CID 106476341
2-(2-ethoxybutan-2-yl)-1H-pyrimidine-6-thione
CID 106476356
2-(3-methoxypentan-3-yl)-1H-pyrimidine-6-thione
CID 106476357
2-[cyclopropyl(methoxy)methyl]-1H-pyrimidine-6-thione
CID 106476372
2-(1-ethoxyethyl)-1H-pyrimidine-6-thione
CID 106476399
2-(1-methoxybutyl)-1H-pyrimidine-6-thione
CID 106476414
2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidine-6-thione
CID 106476415
2-(3-ethoxypentan-3-yl)-1H-pyrimidine-6-thione
CID 106476448
2-(2-methoxypropyl)-1H-pyrimidine-6-thione
CID 106476452

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(1-ethoxypropyl)-1H-pyrimidine-6-thione (CID 106476411) is 2-(1-ethoxypropyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(1-ethoxypropyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(1-ethoxypropyl)-1H-pyrimidine-6-thione is CCOC(CC)c1nccc(=S)[nH]1.
What is the InChIKey of 2-(1-ethoxypropyl)-1H-pyrimidine-6-thione?
The InChIKey is RDCFEVMSBACYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-3-7(12-4-2)9-10-6-5-8(13)11-9/h5-7H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 2-(1-ethoxypropyl)-1H-pyrimidine-6-thione?
2-(1-ethoxypropyl)-1H-pyrimidine-6-thione has a molecular weight of 198.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).