N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide

C14H19N5OS — CID 47057295

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)CSc1ncccn1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)10-8-11(19(4)18-10)17-12(20)9-21-13-15-6-5-7-16-13/h5-8H,9H2,1-4H3,(H,17,20)
InChIKeyPPUVIDTWDCBHIT-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.24
Rot. Bonds4

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 47057295) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID47057295
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)CSc1ncccn1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)10-8-11(19(4)18-10)17-12(20)9-21-13-15-6-5-7-16-13/h5-8H,9H2,1-4H3,(H,17,20)
InChIKeyPPUVIDTWDCBHIT-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 16613947
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 55540614
N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
CID 55868561
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide
CID 60594734
N-ethyl-2-pyrimidin-2-ylsulfanylacetamide
CID 39082382
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide
CID 4259022
N-methyl-2-pyrimidin-2-ylsulfanylacetamide
CID 21061194
N-(5-tert-butyl-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 7995313
N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide
CID 166406116
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 55845969
N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide
CID 39965447

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 47057295) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide is Cn1nc(C(C)(C)C)cc1NC(=O)CSc1ncccn1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is PPUVIDTWDCBHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-14(2,3)10-8-11(19(4)18-10)17-12(20)9-21-13-15-6-5-7-16-13/h5-8H,9H2,1-4H3,(H,17,20).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 305.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 47057295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).