[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone

C21H19ClN4O2 — CID 112853517

IUPAC[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Nc2ccc(Cl)cc2)nc(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C21H19ClN4O2/c22-16-6-8-17(9-7-16)23-19-14-18(21(27)26-10-12-28-13-11-26)24-20(25-19)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,23,24,25)
InChIKeyXIUYZZVSHGVEPL-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.01
Rot. Bonds4

About [6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone

[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 112853517) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is [6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID112853517
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Nc2ccc(Cl)cc2)nc(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C21H19ClN4O2/c22-16-6-8-17(9-7-16)23-19-14-18(21(27)26-10-12-28-13-11-26)24-20(25-19)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,23,24,25)
InChIKeyXIUYZZVSHGVEPL-UHFFFAOYSA-N
XLogP4.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852770
[6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853519
[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853499
[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852761
[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112852347
morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851244
[6-(1,3-benzodioxol-5-ylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852782
(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 112853073
[6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852780
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365604
[6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 167862130
[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853478

Frequently Asked Questions

What is the IUPAC name of [6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone (CID 112853517) is [6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc(Nc2ccc(Cl)cc2)nc(-c2ccccc2)n1)N1CCOCC1.
What is the InChIKey of [6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is XIUYZZVSHGVEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-16-6-8-17(9-7-16)23-19-14-18(21(27)26-10-12-28-13-11-26)24-20(25-19)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,23,24,25).
What are the key properties of [6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 394.86 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 112853517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).