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

C13H21N3OS — CID 106476813

IUPAC5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CN(C(C)C)CCO2)nc(=S)c1C
InChIInChI=1S/C13H21N3OS/c1-8(2)16-5-6-17-11(7-16)12-14-10(4)9(3)13(18)15-12/h8,11H,5-7H2,1-4H3,(H,14,15,18)
InChIKeyYMRRHRHVIMRIOU-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.54
Rot. Bonds2

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

5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106476813) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106476813
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CN(C(C)C)CCO2)nc(=S)c1C
InChIInChI=1S/C13H21N3OS/c1-8(2)16-5-6-17-11(7-16)12-14-10(4)9(3)13(18)15-12/h8,11H,5-7H2,1-4H3,(H,14,15,18)
InChIKeyYMRRHRHVIMRIOU-UHFFFAOYSA-N
XLogP2.54
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.54
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-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106476813) is 5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione is Cc1[nH]c(C2CN(C(C)C)CCO2)nc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is YMRRHRHVIMRIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8(2)16-5-6-17-11(7-16)12-14-10(4)9(3)13(18)15-12/h8,11H,5-7H2,1-4H3,(H,14,15,18).
What are the key properties of 5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 267.40 g/mol, XLogP of 2.54, 2 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-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).