4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine

C26H32ClN5O2 — CID 71459103

IUPAC4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESCCN(CC)CCOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C26H32ClN5O2/c1-3-31(4-2)12-17-34-23-7-5-6-22(18-23)28-26-29-24(20-8-10-21(27)11-9-20)19-25(30-26)32-13-15-33-16-14-32/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,28,29,30)
InChIKeyWNXKXZXUFRSBCF-UHFFFAOYSA-N
MW482.03 g/mol
LogP5.10
Rot. Bonds10

About 4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine

4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 71459103) has the molecular formula C26H32ClN5O2 and a molecular weight of 482.03 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID71459103
Molecular FormulaC26H32ClN5O2
Molecular Weight482.03 g/mol
Exact Mass481.22
IUPAC Name4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESCCN(CC)CCOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C26H32ClN5O2/c1-3-31(4-2)12-17-34-23-7-5-6-22(18-23)28-26-29-24(20-8-10-21(27)11-9-20)19-25(30-26)32-13-15-33-16-14-32/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,28,29,30)
InChIKeyWNXKXZXUFRSBCF-UHFFFAOYSA-N
XLogP5.10
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.03
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine (CID 71459103) is 4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine is CCN(CC)CCOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is WNXKXZXUFRSBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O2/c1-3-31(4-2)12-17-34-23-7-5-6-22(18-23)28-26-29-24(20-8-10-21(27)11-9-20)19-25(30-26)32-13-15-33-16-14-32/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,28,29,30).
What are the key properties of 4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine?
4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 482.03 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]phenyl]-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 71459103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).