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

C14H21N3OS — CID 106478580

IUPAC6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCC(C)N1CCOC(c2nc(=S)cc(C3CC3)[nH]2)C1
InChIInChI=1S/C14H21N3OS/c1-9(2)17-5-6-18-12(8-17)14-15-11(10-3-4-10)7-13(19)16-14/h7,9-10,12H,3-6,8H2,1-2H3,(H,15,16,19)
InChIKeyILMNUGCCQMZTRH-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.80
Rot. Bonds3

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

6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106478580) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106478580
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCC(C)N1CCOC(c2nc(=S)cc(C3CC3)[nH]2)C1
InChIInChI=1S/C14H21N3OS/c1-9(2)17-5-6-18-12(8-17)14-15-11(10-3-4-10)7-13(19)16-14/h7,9-10,12H,3-6,8H2,1-2H3,(H,15,16,19)
InChIKeyILMNUGCCQMZTRH-UHFFFAOYSA-N
XLogP2.80
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106478580) is 6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione is CC(C)N1CCOC(c2nc(=S)cc(C3CC3)[nH]2)C1.
What is the InChIKey of 6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is ILMNUGCCQMZTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9(2)17-5-6-18-12(8-17)14-15-11(10-3-4-10)7-13(19)16-14/h7,9-10,12H,3-6,8H2,1-2H3,(H,15,16,19).
What are the key properties of 6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 279.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).