N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide

C17H20N4O2S — CID 119700062

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)C3CNCCO3)cc2)n1
InChIInChI=1S/C17H20N4O2S/c1-11-9-12(2)20-17(19-11)24-14-5-3-13(4-6-14)21-16(22)15-10-18-7-8-23-15/h3-6,9,15,18H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyGRCNXSCUUSDIQB-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.17
Rot. Bonds4

About N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide (PubChem CID 119700062) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide
PubChem CID119700062
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)C3CNCCO3)cc2)n1
InChIInChI=1S/C17H20N4O2S/c1-11-9-12(2)20-17(19-11)24-14-5-3-13(4-6-14)21-16(22)15-10-18-7-8-23-15/h3-6,9,15,18H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyGRCNXSCUUSDIQB-UHFFFAOYSA-N
XLogP2.17
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
CID 15079946
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
(2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide
CID 124504924
N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide
CID 114052865
2-methyl-2-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 80549799
N-(6-fluoro-3-pyridinyl)morpholine-2-carboxamide
CID 103808720
N-(6-bromo-3-pyridinyl)morpholine-2-carboxamide
CID 103813958
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119772470
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119676273
N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide (CID 119700062) is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide is Cc1cc(C)nc(Sc2ccc(NC(=O)C3CNCCO3)cc2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide?
The InChIKey is GRCNXSCUUSDIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-9-12(2)20-17(19-11)24-14-5-3-13(4-6-14)21-16(22)15-10-18-7-8-23-15/h3-6,9,15,18H,7-8,10H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119700062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).