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

C14H23N3OS — CID 106475541

IUPAC6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(C2CN(C(C)C)CCO2)[nH]1
InChIInChI=1S/C14H23N3OS/c1-9(2)11-7-13(19)16-14(15-11)12-8-17(10(3)4)5-6-18-12/h7,9-10,12H,5-6,8H2,1-4H3,(H,15,16,19)
InChIKeyIGTIDWOVAWWFPD-UHFFFAOYSA-N
MW281.43 g/mol
LogP3.04
Rot. Bonds3

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

6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106475541) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106475541
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(C2CN(C(C)C)CCO2)[nH]1
InChIInChI=1S/C14H23N3OS/c1-9(2)11-7-13(19)16-14(15-11)12-8-17(10(3)4)5-6-18-12/h7,9-10,12H,5-6,8H2,1-4H3,(H,15,16,19)
InChIKeyIGTIDWOVAWWFPD-UHFFFAOYSA-N
XLogP3.04
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106475541) is 6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione is CC(C)c1cc(=S)nc(C2CN(C(C)C)CCO2)[nH]1.
What is the InChIKey of 6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is IGTIDWOVAWWFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-9(2)11-7-13(19)16-14(15-11)12-8-17(10(3)4)5-6-18-12/h7,9-10,12H,5-6,8H2,1-4H3,(H,15,16,19).
What are the key properties of 6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 281.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).