6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione

C11H17N3S2 — CID 106476078

IUPAC6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CSCCN2C)[nH]1
InChIInChI=1S/C11H17N3S2/c1-3-8-6-10(15)13-11(12-8)9-7-16-5-4-14(9)2/h6,9H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyRWOSXSTXDYBRSI-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.42
Rot. Bonds2

About 6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione

6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione (PubChem CID 106476078) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
PubChem CID106476078
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC Name6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CSCCN2C)[nH]1
InChIInChI=1S/C11H17N3S2/c1-3-8-6-10(15)13-11(12-8)9-7-16-5-4-14(9)2/h6,9H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyRWOSXSTXDYBRSI-UHFFFAOYSA-N
XLogP2.42
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.42
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-(3-methyl-1,4-dithian-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475059
2-(1,4-dimethylpiperazin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475132
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475183
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475212
2-(1,4-dithian-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475290
2-(1,4-dimethylpiperazin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475390
2-(1,4-dithian-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475540
6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106475577
6-ethyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidine-4-thione
CID 106476068
2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione
CID 106476147
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-1H-pyrimidine-4-thione
CID 106476192
2-(1,4-dithian-2-yl)-6-ethyl-1H-pyrimidine-4-thione
CID 106476288

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione (CID 106476078) is 6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione is CCc1cc(=S)nc(C2CSCCN2C)[nH]1.
What is the InChIKey of 6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The InChIKey is RWOSXSTXDYBRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S2/c1-3-8-6-10(15)13-11(12-8)9-7-16-5-4-14(9)2/h6,9H,3-5,7H2,1-2H3,(H,12,13,15).
What are the key properties of 6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione has a molecular weight of 255.41 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).