2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide

C14H20N6OS — CID 37331440

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2ncc(C#N)c(N)n2)CC1
InChIInChI=1S/C14H20N6OS/c1-2-20-5-3-11(4-6-20)18-12(21)9-22-14-17-8-10(7-15)13(16)19-14/h8,11H,2-6,9H2,1H3,(H,18,21)(H2,16,17,19)
InChIKeyIKXQBGYZQIPJII-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.62
Rot. Bonds5

About 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 37331440) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID37331440
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2ncc(C#N)c(N)n2)CC1
InChIInChI=1S/C14H20N6OS/c1-2-20-5-3-11(4-6-20)18-12(21)9-22-14-17-8-10(7-15)13(16)19-14/h8,11H,2-6,9H2,1H3,(H,18,21)(H2,16,17,19)
InChIKeyIKXQBGYZQIPJII-UHFFFAOYSA-N
XLogP0.62
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide (CID 37331440) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)CSc2ncc(C#N)c(N)n2)CC1.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is IKXQBGYZQIPJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-2-20-5-3-11(4-6-20)18-12(21)9-22-14-17-8-10(7-15)13(16)19-14/h8,11H,2-6,9H2,1H3,(H,18,21)(H2,16,17,19).
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 320.42 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 37331440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).