5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine

C19H19N5OS — CID 146177512

IUPAC5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)cc(Sc3ccccc3)n2)cn1
InChIInChI=1S/C19H19N5OS/c20-19-21-12-14(13-22-19)17-10-15(24-6-8-25-9-7-24)11-18(23-17)26-16-4-2-1-3-5-16/h1-5,10-13H,6-9H2,(H2,20,21,22)
InChIKeyXXMXQWYFRKSYOX-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.11
Rot. Bonds4

About 5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine

5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 146177512) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine
PubChem CID146177512
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)cc(Sc3ccccc3)n2)cn1
InChIInChI=1S/C19H19N5OS/c20-19-21-12-14(13-22-19)17-10-15(24-6-8-25-9-7-24)11-18(23-17)26-16-4-2-1-3-5-16/h1-5,10-13H,6-9H2,(H2,20,21,22)
InChIKeyXXMXQWYFRKSYOX-UHFFFAOYSA-N
XLogP3.11
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine 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 5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine (CID 146177512) is 5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine is Nc1ncc(-c2cc(N3CCOCC3)cc(Sc3ccccc3)n2)cn1.
What is the InChIKey of 5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is XXMXQWYFRKSYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c20-19-21-12-14(13-22-19)17-10-15(24-6-8-25-9-7-24)11-18(23-17)26-16-4-2-1-3-5-16/h1-5,10-13H,6-9H2,(H2,20,21,22).
What are the key properties of 5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine?
5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 365.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 146177512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).