2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide

C14H19N5OS — CID 56867892

IUPAC2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCCc1csc(CNC(=O)Cc2c(C)nc(N)nc2C)n1
InChIInChI=1S/C14H19N5OS/c1-4-10-7-21-13(19-10)6-16-12(20)5-11-8(2)17-14(15)18-9(11)3/h7H,4-6H2,1-3H3,(H,16,20)(H2,15,17,18)
InChIKeyRJQJTTHXLXDOOW-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.55
Rot. Bonds5

About 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide

2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56867892) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56867892
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCCc1csc(CNC(=O)Cc2c(C)nc(N)nc2C)n1
InChIInChI=1S/C14H19N5OS/c1-4-10-7-21-13(19-10)6-16-12(20)5-11-8(2)17-14(15)18-9(11)3/h7H,4-6H2,1-3H3,(H,16,20)(H2,15,17,18)
InChIKeyRJQJTTHXLXDOOW-UHFFFAOYSA-N
XLogP1.55
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide (CID 56867892) is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide is CCc1csc(CNC(=O)Cc2c(C)nc(N)nc2C)n1.
What is the InChIKey of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is RJQJTTHXLXDOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-4-10-7-21-13(19-10)6-16-12(20)5-11-8(2)17-14(15)18-9(11)3/h7H,4-6H2,1-3H3,(H,16,20)(H2,15,17,18).
What are the key properties of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide?
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 305.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56867892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).