[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone

C22H21ClN4O2 — CID 3050088

IUPAC[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(Nc2ccccc2C(=O)N2CCOCC2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H21ClN4O2/c1-15-14-20(26-21(24-15)16-6-8-17(23)9-7-16)25-19-5-3-2-4-18(19)22(28)27-10-12-29-13-11-27/h2-9,14H,10-13H2,1H3,(H,24,25,26)
InChIKeyBWCQPEUCRORJDG-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.32
Rot. Bonds4

About [2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone

[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 3050088) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is [2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID3050088
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(Nc2ccccc2C(=O)N2CCOCC2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H21ClN4O2/c1-15-14-20(26-21(24-15)16-6-8-17(23)9-7-16)25-19-5-3-2-4-18(19)22(28)27-10-12-29-13-11-27/h2-9,14H,10-13H2,1H3,(H,24,25,26)
InChIKeyBWCQPEUCRORJDG-UHFFFAOYSA-N
XLogP4.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 3050088) is [2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone is Cc1cc(Nc2ccccc2C(=O)N2CCOCC2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is BWCQPEUCRORJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-15-14-20(26-21(24-15)16-6-8-17(23)9-7-16)25-19-5-3-2-4-18(19)22(28)27-10-12-29-13-11-27/h2-9,14H,10-13H2,1H3,(H,24,25,26).
What are the key properties of [2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone?
[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 408.89 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3050088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).