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

C22H22N4O2 — CID 112853499

IUPAC[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1Nc1cc(C(=O)N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O2/c1-16-7-5-6-10-18(16)23-20-15-19(22(27)26-11-13-28-14-12-26)24-21(25-20)17-8-3-2-4-9-17/h2-10,15H,11-14H2,1H3,(H,23,24,25)
InChIKeyXMTVYCKIXDLPBG-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.67
Rot. Bonds4

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

[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 112853499) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID112853499
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1Nc1cc(C(=O)N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O2/c1-16-7-5-6-10-18(16)23-20-15-19(22(27)26-11-13-28-14-12-26)24-21(25-20)17-8-3-2-4-9-17/h2-10,15H,11-14H2,1H3,(H,23,24,25)
InChIKeyXMTVYCKIXDLPBG-UHFFFAOYSA-N
XLogP3.67
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853517
morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851244
[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112852347
[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365583
[6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853519
[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853478
[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852983
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852761
(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 112853073
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
[6-(1,3-benzodioxol-5-ylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852782

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone (CID 112853499) is [6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone is Cc1ccccc1Nc1cc(C(=O)N2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of [6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is XMTVYCKIXDLPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-7-5-6-10-18(16)23-20-15-19(22(27)26-11-13-28-14-12-26)24-21(25-20)17-8-3-2-4-9-17/h2-10,15H,11-14H2,1H3,(H,23,24,25).
What are the key properties of [6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 374.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 112853499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).