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

C16H17N3OS — CID 15079946

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
InChIInChI=1S/C16H17N3OS/c1-10-9-11(2)18-16(17-10)21-14-7-5-13(6-8-14)19-15(20)12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,19,20)
InChIKeyUJAOSUMBTBDBFF-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.59
Rot. Bonds4

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

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 15079946) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
PubChem CID15079946
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
InChIInChI=1S/C16H17N3OS/c1-10-9-11(2)18-16(17-10)21-14-7-5-13(6-8-14)19-15(20)12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,19,20)
InChIKeyUJAOSUMBTBDBFF-UHFFFAOYSA-N
XLogP3.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dichloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 24677204
(2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide
CID 124504924
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 26208676
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide
CID 119700062
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide
CID 7925847
N-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 24747174
N-[4-[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 134363249
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276811
2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 30257491
2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785281
2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
CID 18208060
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
CID 24591939

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide (CID 15079946) is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide is Cc1cc(C)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is UJAOSUMBTBDBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-9-11(2)18-16(17-10)21-14-7-5-13(6-8-14)19-15(20)12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 15079946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).