4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide

C17H23N5O2S — CID 122294149

IUPAC4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1
InChIInChI=1S/C17H23N5O2S/c1-12-9-14(25-11-12)17(23)19-4-3-18-15-10-16(21-13(2)20-15)22-5-7-24-8-6-22/h9-11H,3-8H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyQPALDJUBQXVZMK-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.83
Rot. Bonds6

About 4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide

4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 122294149) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide
PubChem CID122294149
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1
InChIInChI=1S/C17H23N5O2S/c1-12-9-14(25-11-12)17(23)19-4-3-18-15-10-16(21-13(2)20-15)22-5-7-24-8-6-22/h9-11H,3-8H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyQPALDJUBQXVZMK-UHFFFAOYSA-N
XLogP1.83
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 70702870
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700339
4-acetyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122294236
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyridine-2-carboxamide
CID 122294062
4-chloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700161
4-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699188
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 50945106
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 50946507
4-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 50945333
3-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700196
1-(2-fluorophenyl)-3-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50945805
4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122255088

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide (CID 122294149) is 4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1.
What is the InChIKey of 4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is QPALDJUBQXVZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-12-9-14(25-11-12)17(23)19-4-3-18-15-10-16(21-13(2)20-15)22-5-7-24-8-6-22/h9-11H,3-8H2,1-2H3,(H,19,23)(H,18,20,21).
What are the key properties of 4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide?
4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 122294149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).