6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione

C13H21N3OS — CID 106477992

IUPAC6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CN(C)CCO2)nc(=S)c1C(C)C
InChIInChI=1S/C13H21N3OS/c1-8(2)11-9(3)14-12(15-13(11)18)10-7-16(4)5-6-17-10/h8,10H,5-7H2,1-4H3,(H,14,15,18)
InChIKeyDXNXCDWNWCEZRY-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.57
Rot. Bonds2

About 6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione

6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106477992) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106477992
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CN(C)CCO2)nc(=S)c1C(C)C
InChIInChI=1S/C13H21N3OS/c1-8(2)11-9(3)14-12(15-13(11)18)10-7-16(4)5-6-17-10/h8,10H,5-7H2,1-4H3,(H,14,15,18)
InChIKeyDXNXCDWNWCEZRY-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
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-(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
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-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 6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106477992) is 6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione is Cc1[nH]c(C2CN(C)CCO2)nc(=S)c1C(C)C.
What is the InChIKey of 6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is DXNXCDWNWCEZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8(2)11-9(3)14-12(15-13(11)18)10-7-16(4)5-6-17-10/h8,10H,5-7H2,1-4H3,(H,14,15,18).
What are the key properties of 6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione?
6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 267.40 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).