5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione

C11H17N3OS — CID 106476733

IUPAC5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CN(C)CCO2)nc(=S)c1C
InChIInChI=1S/C11H17N3OS/c1-7-8(2)12-10(13-11(7)16)9-6-14(3)4-5-15-9/h9H,4-6H2,1-3H3,(H,12,13,16)
InChIKeyIQKFVVXIXAASPZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.76
Rot. Bonds1

About 5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione

5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106476733) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106476733
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CN(C)CCO2)nc(=S)c1C
InChIInChI=1S/C11H17N3OS/c1-7-8(2)12-10(13-11(7)16)9-6-14(3)4-5-15-9/h9H,4-6H2,1-3H3,(H,12,13,16)
InChIKeyIQKFVVXIXAASPZ-UHFFFAOYSA-N
XLogP1.76
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.76
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-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475314
2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475457
6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475541
6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475565
6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475710
2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475754
6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475817
6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476010
6-tert-butyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476046
6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476067
6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476209
6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476289

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106476733) is 5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione is Cc1[nH]c(C2CN(C)CCO2)nc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is IQKFVVXIXAASPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-8(2)12-10(13-11(7)16)9-6-14(3)4-5-15-9/h9H,4-6H2,1-3H3,(H,12,13,16).
What are the key properties of 5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione?
5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 239.34 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).