4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine

C17H21ClN6O2 — CID 59507602

IUPAC4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
SMILESNc1cc(Cl)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21ClN6O2/c18-13-9-15(19)20-11-12(13)14-10-16(23-1-5-25-6-2-23)22-17(21-14)24-3-7-26-8-4-24/h9-11H,1-8H2,(H2,19,20)
InChIKeyJKVGJGBIUVYAIV-UHFFFAOYSA-N
MW376.85 g/mol
LogP1.45
Rot. Bonds3

About 4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine

4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine (PubChem CID 59507602) has the molecular formula C17H21ClN6O2 and a molecular weight of 376.85 g/mol. Its IUPAC name is 4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
PubChem CID59507602
Molecular FormulaC17H21ClN6O2
Molecular Weight376.85 g/mol
Exact Mass376.14
IUPAC Name4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
SMILESNc1cc(Cl)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21ClN6O2/c18-13-9-15(19)20-11-12(13)14-10-16(23-1-5-25-6-2-23)22-17(21-14)24-3-7-26-8-4-24/h9-11H,1-8H2,(H2,19,20)
InChIKeyJKVGJGBIUVYAIV-UHFFFAOYSA-N
XLogP1.45
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
The IUPAC name of 4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine (CID 59507602) is 4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
The canonical SMILES for 4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine is Nc1cc(Cl)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
The InChIKey is JKVGJGBIUVYAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O2/c18-13-9-15(19)20-11-12(13)14-10-16(23-1-5-25-6-2-23)22-17(21-14)24-3-7-26-8-4-24/h9-11H,1-8H2,(H2,19,20).
What are the key properties of 4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine has a molecular weight of 376.85 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 59507602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).