2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione

C14H22N2O2S — CID 106475215

IUPAC2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2(OCC)CCOCC2)[nH]1
InChIInChI=1S/C14H22N2O2S/c1-3-5-11-10-12(19)16-13(15-11)14(18-4-2)6-8-17-9-7-14/h10H,3-9H2,1-2H3,(H,15,16,19)
InChIKeyKLUGCNHMOAIVLQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.13
Rot. Bonds5

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

2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475215) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475215
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2(OCC)CCOCC2)[nH]1
InChIInChI=1S/C14H22N2O2S/c1-3-5-11-10-12(19)16-13(15-11)14(18-4-2)6-8-17-9-7-14/h10H,3-9H2,1-2H3,(H,15,16,19)
InChIKeyKLUGCNHMOAIVLQ-UHFFFAOYSA-N
XLogP3.13
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyloxan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475084
2-(1-methoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475088
2-(2-ethoxybutan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475090
2-(3-methoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475091
2-(4-methoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475102
2-(3-ethoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475174
2-(1-methoxycyclobutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475175
2-(2-ethoxypropan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475180
2-(2-methoxybutan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475181
2-(oxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475198
2-(1-ethoxycyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475218
2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475220

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione (CID 106475215) is 2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2(OCC)CCOCC2)[nH]1.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is KLUGCNHMOAIVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-5-11-10-12(19)16-13(15-11)14(18-4-2)6-8-17-9-7-14/h10H,3-9H2,1-2H3,(H,15,16,19).
What are the key properties of 2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione?
2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 282.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).