[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone

C20H25N5O3 — CID 109365637

IUPAC[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(Nc2ccccc2N2CCOCC2)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C20H25N5O3/c1-15-21-17(20(26)25-8-12-28-13-9-25)14-19(22-15)23-16-4-2-3-5-18(16)24-6-10-27-11-7-24/h2-5,14H,6-13H2,1H3,(H,21,22,23)
InChIKeyIJURMKQICILFNT-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.84
Rot. Bonds4

About [2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone

[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109365637) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is [2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109365637
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(Nc2ccccc2N2CCOCC2)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C20H25N5O3/c1-15-21-17(20(26)25-8-12-28-13-9-25)14-19(22-15)23-16-4-2-3-5-18(16)24-6-10-27-11-7-24/h2-5,14H,6-13H2,1H3,(H,21,22,23)
InChIKeyIJURMKQICILFNT-UHFFFAOYSA-N
XLogP1.84
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365583
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109364061
N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109366826
[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341768
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594
[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853499
4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112878299
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485
2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867271
[5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274408
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365603
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109365637) is [2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone is Cc1nc(Nc2ccccc2N2CCOCC2)cc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is IJURMKQICILFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15-21-17(20(26)25-8-12-28-13-9-25)14-19(22-15)23-16-4-2-3-5-18(16)24-6-10-27-11-7-24/h2-5,14H,6-13H2,1H3,(H,21,22,23).
What are the key properties of [2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 383.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109365637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).