2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide

C14H17N5OS — CID 3531613

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1nc(N)cc(N)n1)c1ccccc1
InChIInChI=1S/C14H17N5OS/c1-9(10-5-3-2-4-6-10)17-13(20)8-21-14-18-11(15)7-12(16)19-14/h2-7,9H,8H2,1H3,(H,17,20)(H4,15,16,18,19)
InChIKeyBWOHLPYAODEJQX-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.61
Rot. Bonds5

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 3531613) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID3531613
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1nc(N)cc(N)n1)c1ccccc1
InChIInChI=1S/C14H17N5OS/c1-9(10-5-3-2-4-6-10)17-13(20)8-21-14-18-11(15)7-12(16)19-14/h2-7,9H,8H2,1H3,(H,17,20)(H4,15,16,18,19)
InChIKeyBWOHLPYAODEJQX-UHFFFAOYSA-N
XLogP1.61
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide (CID 3531613) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide is CC(NC(=O)CSc1nc(N)cc(N)n1)c1ccccc1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is BWOHLPYAODEJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-9(10-5-3-2-4-6-10)17-13(20)8-21-14-18-11(15)7-12(16)19-14/h2-7,9H,8H2,1H3,(H,17,20)(H4,15,16,18,19).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide has a molecular weight of 303.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 3531613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).