N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

C19H24N6O4 — CID 122294709

IUPACN-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCOc1ccc(Nc2cc(C)nc(NCCNC(=O)CN3CCOC3=O)n2)cc1
InChIInChI=1S/C19H24N6O4/c1-13-11-16(23-14-3-5-15(28-2)6-4-14)24-18(22-13)21-8-7-20-17(26)12-25-9-10-29-19(25)27/h3-6,11H,7-10,12H2,1-2H3,(H,20,26)(H2,21,22,23,24)
InChIKeyGCNMKNIIQUIJDP-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.52
Rot. Bonds9

About N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (PubChem CID 122294709) has the molecular formula C19H24N6O4 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
PubChem CID122294709
Molecular FormulaC19H24N6O4
Molecular Weight400.44 g/mol
Exact Mass400.19
IUPAC NameN-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCOc1ccc(Nc2cc(C)nc(NCCNC(=O)CN3CCOC3=O)n2)cc1
InChIInChI=1S/C19H24N6O4/c1-13-11-16(23-14-3-5-15(28-2)6-4-14)24-18(22-13)21-8-7-20-17(26)12-25-9-10-29-19(25)27/h3-6,11H,7-10,12H2,1-2H3,(H,20,26)(H2,21,22,23,24)
InChIKeyGCNMKNIIQUIJDP-UHFFFAOYSA-N
XLogP1.52
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propanamide
CID 121075051
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 122294623
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-methylbutanamide
CID 121075055
4-acetyl-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 122294748
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075061
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-methylpyrazine-2-carboxamide
CID 122294736
4-tert-butyl-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075067
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122294606
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 121075015
N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122325125
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122294680
3-fluoro-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075077

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The IUPAC name of N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (CID 122294709) is N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.
What is the SMILES notation for N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The canonical SMILES for N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is COc1ccc(Nc2cc(C)nc(NCCNC(=O)CN3CCOC3=O)n2)cc1.
What is the InChIKey of N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The InChIKey is GCNMKNIIQUIJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4/c1-13-11-16(23-14-3-5-15(28-2)6-4-14)24-18(22-13)21-8-7-20-17(26)12-25-9-10-29-19(25)27/h3-6,11H,7-10,12H2,1-2H3,(H,20,26)(H2,21,22,23,24).
What are the key properties of N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide has a molecular weight of 400.44 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is sourced from PubChem (CID 122294709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).