3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one

C21H20N6O2 — CID 143103213

IUPAC3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one
SMILESNC=C(C(=O)c1ccccn1)c1nccc(-c2ccnc(N3CCOCC3)c2)n1
InChIInChI=1S/C21H20N6O2/c22-14-16(20(28)18-3-1-2-6-23-18)21-25-8-5-17(26-21)15-4-7-24-19(13-15)27-9-11-29-12-10-27/h1-8,13-14H,9-12,22H2
InChIKeyYYESXMSVIHYUGZ-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.95
Rot. Bonds5

About 3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one

3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one (PubChem CID 143103213) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one
PubChem CID143103213
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one
SMILESNC=C(C(=O)c1ccccn1)c1nccc(-c2ccnc(N3CCOCC3)c2)n1
InChIInChI=1S/C21H20N6O2/c22-14-16(20(28)18-3-1-2-6-23-18)21-25-8-5-17(26-21)15-4-7-24-19(13-15)27-9-11-29-12-10-27/h1-8,13-14H,9-12,22H2
InChIKeyYYESXMSVIHYUGZ-UHFFFAOYSA-N
XLogP1.95
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of 3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one (CID 143103213) is 3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for 3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one is NC=C(C(=O)c1ccccn1)c1nccc(-c2ccnc(N3CCOCC3)c2)n1.
What is the InChIKey of 3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one?
The InChIKey is YYESXMSVIHYUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c22-14-16(20(28)18-3-1-2-6-23-18)21-25-8-5-17(26-21)15-4-7-24-19(13-15)27-9-11-29-12-10-27/h1-8,13-14H,9-12,22H2.
What are the key properties of 3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one?
3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one has a molecular weight of 388.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 143103213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).