5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide

C15H17ClN4O2S — CID 122319076

IUPAC5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C15H17ClN4O2S/c1-10-8-14(20-4-6-22-7-5-20)19-13(18-10)9-17-15(21)11-2-3-12(16)23-11/h2-3,8H,4-7,9H2,1H3,(H,17,21)
InChIKeyJJRNTNVBUYACOT-UHFFFAOYSA-N
MW352.85 g/mol
LogP2.27
Rot. Bonds4

About 5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide

5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 122319076) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID122319076
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C15H17ClN4O2S/c1-10-8-14(20-4-6-22-7-5-20)19-13(18-10)9-17-15(21)11-2-3-12(16)23-11/h2-3,8H,4-7,9H2,1H3,(H,17,21)
InChIKeyJJRNTNVBUYACOT-UHFFFAOYSA-N
XLogP2.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122319061
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461
2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966839
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966844
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazine-2-carboxamide
CID 72718138
1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide
CID 122319110
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 71807389
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide
CID 122319112

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide (CID 122319076) is 5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide is Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(Cl)s2)n1.
What is the InChIKey of 5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is JJRNTNVBUYACOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-10-8-14(20-4-6-22-7-5-20)19-13(18-10)9-17-15(21)11-2-3-12(16)23-11/h2-3,8H,4-7,9H2,1H3,(H,17,21).
What are the key properties of 5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide?
5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 352.85 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 122319076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).