2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide

C14H21N5OS — CID 8809345

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide
SMILESCCCCC[C@@H](C)NC(=O)CSc1ncc(C#N)c(N)n1
InChIInChI=1S/C14H21N5OS/c1-3-4-5-6-10(2)18-12(20)9-21-14-17-8-11(7-15)13(16)19-14/h8,10H,3-6,9H2,1-2H3,(H,18,20)(H2,16,17,19)/t10-/m1/s1
InChIKeyOUABNDHGGUVTRK-SNVBAGLBSA-N
MW307.42 g/mol
LogP2.11
Rot. Bonds8

About 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide (PubChem CID 8809345) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide
PubChem CID8809345
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide
SMILESCCCCC[C@@H](C)NC(=O)CSc1ncc(C#N)c(N)n1
InChIInChI=1S/C14H21N5OS/c1-3-4-5-6-10(2)18-12(20)9-21-14-17-8-11(7-15)13(16)19-14/h8,10H,3-6,9H2,1-2H3,(H,18,20)(H2,16,17,19)/t10-/m1/s1
InChIKeyOUABNDHGGUVTRK-SNVBAGLBSA-N
XLogP2.11
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide (CID 8809345) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide is CCCCC[C@@H](C)NC(=O)CSc1ncc(C#N)c(N)n1.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide?
The InChIKey is OUABNDHGGUVTRK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-3-4-5-6-10(2)18-12(20)9-21-14-17-8-11(7-15)13(16)19-14/h8,10H,3-6,9H2,1-2H3,(H,18,20)(H2,16,17,19)/t10-/m1/s1.
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2R)-heptan-2-yl]acetamide is sourced from PubChem (CID 8809345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).