2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide

C10H16N4OS — CID 66228013

IUPAC2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide
SMILESCCC(N)CSCC(=O)Nc1ncccn1
InChIInChI=1S/C10H16N4OS/c1-2-8(11)6-16-7-9(15)14-10-12-4-3-5-13-10/h3-5,8H,2,6-7,11H2,1H3,(H,12,13,14,15)
InChIKeyJVVNFXJYCQFILN-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.89
Rot. Bonds6

About 2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide

2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide (PubChem CID 66228013) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide
PubChem CID66228013
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide
SMILESCCC(N)CSCC(=O)Nc1ncccn1
InChIInChI=1S/C10H16N4OS/c1-2-8(11)6-16-7-9(15)14-10-12-4-3-5-13-10/h3-5,8H,2,6-7,11H2,1H3,(H,12,13,14,15)
InChIKeyJVVNFXJYCQFILN-UHFFFAOYSA-N
XLogP0.89
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66217003
2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 66222087
2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide
CID 66228012
2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide
CID 66230836
2-(2-aminobutylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66229191
2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide
CID 66231284
2-(3-hydroxypropylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66112760
2-benzylsulfanyl-N-pyrimidin-2-ylacetamide
CID 4167092
2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide
CID 66228725
2-(2-aminobutylsulfanyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 66228221
2-(2-aminobutylsulfanyl)-N-prop-2-ynylacetamide
CID 66231062
2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66229626

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide (CID 66228013) is 2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide is CCC(N)CSCC(=O)Nc1ncccn1.
What is the InChIKey of 2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide?
The InChIKey is JVVNFXJYCQFILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-2-8(11)6-16-7-9(15)14-10-12-4-3-5-13-10/h3-5,8H,2,6-7,11H2,1H3,(H,12,13,14,15).
What are the key properties of 2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide?
2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide has a molecular weight of 240.33 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 66228013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).