2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide

C12H17N5OS — CID 4317303

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C12H17N5OS/c1-3-5-17(6-4-2)11(18)8-19-12-15-9(13)7-10(14)16-12/h3-4,7H,1-2,5-6,8H2,(H4,13,14,15,16)
InChIKeyRIRMOOYMYKKYII-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.93
Rot. Bonds7

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide (PubChem CID 4317303) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
PubChem CID4317303
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C12H17N5OS/c1-3-5-17(6-4-2)11(18)8-19-12-15-9(13)7-10(14)16-12/h3-4,7H,1-2,5-6,8H2,(H4,13,14,15,16)
InChIKeyRIRMOOYMYKKYII-UHFFFAOYSA-N
XLogP0.93
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide (CID 4317303) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is RIRMOOYMYKKYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-3-5-17(6-4-2)11(18)8-19-12-15-9(13)7-10(14)16-12/h3-4,7H,1-2,5-6,8H2,(H4,13,14,15,16).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 279.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 4317303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).