2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide

C14H19N5OS — CID 56782550

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2c(C)c(C)nn2C)n1
InChIInChI=1S/C14H19N5OS/c1-8-6-9(2)16-14(15-8)21-7-12(20)17-13-10(3)11(4)18-19(13)5/h6H,7H2,1-5H3,(H,17,20)
InChIKeyNZNQEQVNPLYWNS-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.17
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide (PubChem CID 56782550) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
PubChem CID56782550
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2c(C)c(C)nn2C)n1
InChIInChI=1S/C14H19N5OS/c1-8-6-9(2)16-14(15-8)21-7-12(20)17-13-10(3)11(4)18-19(13)5/h6H,7H2,1-5H3,(H,17,20)
InChIKeyNZNQEQVNPLYWNS-UHFFFAOYSA-N
XLogP2.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 127292748
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide
CID 5061796
2-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-N-methylacetamide
CID 36544300
N-[4-(diethylamino)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 40604446
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 933898
N-(3,4-dibromophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 3919820
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 47095842
N-(4,6-dimethylpyrimidin-2-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 15883017
N-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4294773
N-(3-amino-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 62305813
N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 808918

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide (CID 56782550) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2c(C)c(C)nn2C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
The InChIKey is NZNQEQVNPLYWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8-6-9(2)16-14(15-8)21-7-12(20)17-13-10(3)11(4)18-19(13)5/h6H,7H2,1-5H3,(H,17,20).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide has a molecular weight of 305.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 56782550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).