2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione

C12H19N3OS — CID 106475457

IUPAC2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(C2CN(C)CCO2)[nH]1
InChIInChI=1S/C12H19N3OS/c1-8(2)9-6-11(17)14-12(13-9)10-7-15(3)4-5-16-10/h6,8,10H,4-5,7H2,1-3H3,(H,13,14,17)
InChIKeyMKAIBMANJFQUKA-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.27
Rot. Bonds2

About 2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione

2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475457) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475457
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(C2CN(C)CCO2)[nH]1
InChIInChI=1S/C12H19N3OS/c1-8(2)9-6-11(17)14-12(13-9)10-7-15(3)4-5-16-10/h6,8,10H,4-5,7H2,1-3H3,(H,13,14,17)
InChIKeyMKAIBMANJFQUKA-UHFFFAOYSA-N
XLogP2.27
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.27
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

6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475057
2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475251
2-(1-ethoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475260
2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475291
6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475314
6-propan-2-yl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106475330
2-morpholin-4-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475372
2-(1-ethoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475387
2-(1-ethoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475398
2-(1-ethoxy-2,2-dimethylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475403
2-(2-ethoxypropan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475433
2-(ethoxymethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475456

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475457) is 2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1cc(=S)nc(C2CN(C)CCO2)[nH]1.
What is the InChIKey of 2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is MKAIBMANJFQUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)9-6-11(17)14-12(13-9)10-7-15(3)4-5-16-10/h6,8,10H,4-5,7H2,1-3H3,(H,13,14,17).
What are the key properties of 2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione?
2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 253.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).