5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine

C20H20ClN5O2 — CID 157319144

IUPAC5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)c2)ccc1Cl
InChIInChI=1S/C20H20ClN5O2/c1-13-8-15(2-3-17(13)21)28-16-9-18(14-11-23-20(22)24-12-14)25-19(10-16)26-4-6-27-7-5-26/h2-3,8-12H,4-7H2,1H3,(H2,22,23,24)
InChIKeyBDYOZMOFSDCZGJ-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.71
Rot. Bonds4

About 5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine

5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine (PubChem CID 157319144) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
PubChem CID157319144
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)c2)ccc1Cl
InChIInChI=1S/C20H20ClN5O2/c1-13-8-15(2-3-17(13)21)28-16-9-18(14-11-23-20(22)24-12-14)25-19(10-16)26-4-6-27-7-5-26/h2-3,8-12H,4-7H2,1H3,(H2,22,23,24)
InChIKeyBDYOZMOFSDCZGJ-UHFFFAOYSA-N
XLogP3.71
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine (CID 157319144) is 5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine is Cc1cc(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)c2)ccc1Cl.
What is the InChIKey of 5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is BDYOZMOFSDCZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-13-8-15(2-3-17(13)21)28-16-9-18(14-11-23-20(22)24-12-14)25-19(10-16)26-4-6-27-7-5-26/h2-3,8-12H,4-7H2,1H3,(H2,22,23,24).
What are the key properties of 5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 397.87 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 157319144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).