4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine

C19H19N5O — CID 91800576

IUPAC4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine
SMILESc1ccc(Nc2nc(-c3ccccn3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H19N5O/c1-2-6-15(7-3-1)21-19-22-17(16-8-4-5-9-20-16)14-18(23-19)24-10-12-25-13-11-24/h1-9,14H,10-13H2,(H,21,22,23)
InChIKeyHJHRNJUMBGWJEV-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.12
Rot. Bonds4

About 4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine

4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine (PubChem CID 91800576) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine
PubChem CID91800576
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine
SMILESc1ccc(Nc2nc(-c3ccccn3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H19N5O/c1-2-6-15(7-3-1)21-19-22-17(16-8-4-5-9-20-16)14-18(23-19)24-10-12-25-13-11-24/h1-9,14H,10-13H2,(H,21,22,23)
InChIKeyHJHRNJUMBGWJEV-UHFFFAOYSA-N
XLogP3.12
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine (CID 91800576) is 4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine is c1ccc(Nc2nc(-c3ccccn3)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is HJHRNJUMBGWJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-6-15(7-3-1)21-19-22-17(16-8-4-5-9-20-16)14-18(23-19)24-10-12-25-13-11-24/h1-9,14H,10-13H2,(H,21,22,23).
What are the key properties of 4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine?
4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 333.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 91800576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).