2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide

C10H16N4OS — CID 66222087

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide
SMILESCC(C)(N)CSCC(=O)Nc1ncccn1
InChIInChI=1S/C10H16N4OS/c1-10(2,11)7-16-6-8(15)14-9-12-4-3-5-13-9/h3-5H,6-7,11H2,1-2H3,(H,12,13,14,15)
InChIKeyBNTGBHFXXWERQP-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.89
Rot. Bonds5

About 2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide

2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide (PubChem CID 66222087) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide
PubChem CID66222087
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide
SMILESCC(C)(N)CSCC(=O)Nc1ncccn1
InChIInChI=1S/C10H16N4OS/c1-10(2,11)7-16-6-8(15)14-9-12-4-3-5-13-9/h3-5H,6-7,11H2,1-2H3,(H,12,13,14,15)
InChIKeyBNTGBHFXXWERQP-UHFFFAOYSA-N
XLogP0.89
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66228013
2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66217003
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 66224014
2-benzylsulfanyl-N-pyrimidin-2-ylacetamide
CID 4167092
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 66228322
2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 66229045
2-(3-hydroxypropylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66112760
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 66230911
2-(2-amino-2-methylpropyl)sulfanyl-N-tert-butylacetamide
CID 66230207
2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 66221649
[2-oxo-2-(pyrimidin-2-ylamino)ethyl] carbamimidothioate
CID 65211793
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclohexylacetamide
CID 66223801

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide (CID 66222087) is 2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide is CC(C)(N)CSCC(=O)Nc1ncccn1.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide?
The InChIKey is BNTGBHFXXWERQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-10(2,11)7-16-6-8(15)14-9-12-4-3-5-13-9/h3-5H,6-7,11H2,1-2H3,(H,12,13,14,15).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide?
2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide has a molecular weight of 240.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 66222087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).