6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione

C11H15N3OS — CID 106478410

IUPAC6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(N2CCOCC2)n1
InChIInChI=1S/C11H15N3OS/c16-10-7-9(8-1-2-8)12-11(13-10)14-3-5-15-6-4-14/h7-8H,1-6H2,(H,12,13,16)
InChIKeyCPFNYYVUGLAWCP-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.85
Rot. Bonds2

About 6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione

6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione (PubChem CID 106478410) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
PubChem CID106478410
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(N2CCOCC2)n1
InChIInChI=1S/C11H15N3OS/c16-10-7-9(8-1-2-8)12-11(13-10)14-3-5-15-6-4-14/h7-8H,1-6H2,(H,12,13,16)
InChIKeyCPFNYYVUGLAWCP-UHFFFAOYSA-N
XLogP1.85
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-cyclopropyl-2-morpholin-4-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

Related Compounds

2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475115
2-morpholin-4-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475372
6-tert-butyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106475876
6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106476133
5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106480327
6-(2-methylpropyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 113839777
6-cyclopentyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 113839860

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione (CID 106478410) is 6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione is S=c1cc(C2CC2)[nH]c(N2CCOCC2)n1.
What is the InChIKey of 6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The InChIKey is CPFNYYVUGLAWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c16-10-7-9(8-1-2-8)12-11(13-10)14-3-5-15-6-4-14/h7-8H,1-6H2,(H,12,13,16).
What are the key properties of 6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione has a molecular weight of 237.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).