2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide

C11H15N5O2S — CID 40663522

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)NC(=O)NC2CC2)n1
InChIInChI=1S/C11H15N5O2S/c1-6-4-8(12)15-11(13-6)19-5-9(17)16-10(18)14-7-2-3-7/h4,7H,2-3,5H2,1H3,(H2,12,13,15)(H2,14,16,17,18)
InChIKeyZCGMAZONYPYALK-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.45
Rot. Bonds4

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 40663522) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
PubChem CID40663522
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)NC(=O)NC2CC2)n1
InChIInChI=1S/C11H15N5O2S/c1-6-4-8(12)15-11(13-6)19-5-9(17)16-10(18)14-7-2-3-7/h4,7H,2-3,5H2,1H3,(H2,12,13,15)(H2,14,16,17,18)
InChIKeyZCGMAZONYPYALK-UHFFFAOYSA-N
XLogP0.45
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide (CID 40663522) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide is Cc1cc(N)nc(SCC(=O)NC(=O)NC2CC2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is ZCGMAZONYPYALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-6-4-8(12)15-11(13-6)19-5-9(17)16-10(18)14-7-2-3-7/h4,7H,2-3,5H2,1H3,(H2,12,13,15)(H2,14,16,17,18).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 281.34 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 40663522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).