5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine

C19H18ClN5O2 — CID 146177530

IUPAC5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(Oc3ccccc3Cl)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H18ClN5O2/c20-15-3-1-2-4-17(15)27-14-9-16(13-11-22-19(21)23-12-13)24-18(10-14)25-5-7-26-8-6-25/h1-4,9-12H,5-8H2,(H2,21,22,23)
InChIKeySEZCHLLNKIYQLL-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.40
Rot. Bonds4

About 5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine

5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine (PubChem CID 146177530) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
PubChem CID146177530
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(Oc3ccccc3Cl)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H18ClN5O2/c20-15-3-1-2-4-17(15)27-14-9-16(13-11-22-19(21)23-12-13)24-18(10-14)25-5-7-26-8-6-25/h1-4,9-12H,5-8H2,(H2,21,22,23)
InChIKeySEZCHLLNKIYQLL-UHFFFAOYSA-N
XLogP3.40
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine (CID 146177530) is 5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2cc(Oc3ccccc3Cl)cc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is SEZCHLLNKIYQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c20-15-3-1-2-4-17(15)27-14-9-16(13-11-22-19(21)23-12-13)24-18(10-14)25-5-7-26-8-6-25/h1-4,9-12H,5-8H2,(H2,21,22,23).
What are the key properties of 5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 383.84 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chlorophenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 146177530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).