6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

C16H17ClN6O3S — CID 2448835

IUPAC6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nc3ncc(Cl)cc3[nH]2)c(=O)n(C)c1=O
InChIInChI=1S/C16H17ClN6O3S/c1-3-4-23-12(18)11(14(25)22(2)16(23)26)10(24)7-27-15-20-9-5-8(17)6-19-13(9)21-15/h5-6H,3-4,7,18H2,1-2H3,(H,19,20,21)
InChIKeyVSGSFVOQPPIFFZ-UHFFFAOYSA-N
MW408.87 g/mol
LogP1.44
Rot. Bonds6

About 6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 2448835) has the molecular formula C16H17ClN6O3S and a molecular weight of 408.87 g/mol. Its IUPAC name is 6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID2448835
Molecular FormulaC16H17ClN6O3S
Molecular Weight408.87 g/mol
Exact Mass408.08
IUPAC Name6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nc3ncc(Cl)cc3[nH]2)c(=O)n(C)c1=O
InChIInChI=1S/C16H17ClN6O3S/c1-3-4-23-12(18)11(14(25)22(2)16(23)26)10(24)7-27-15-20-9-5-8(17)6-19-13(9)21-15/h5-6H,3-4,7,18H2,1-2H3,(H,19,20,21)
InChIKeyVSGSFVOQPPIFFZ-UHFFFAOYSA-N
XLogP1.44
TPSA128.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.87
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 2448835) is 6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2nc3ncc(Cl)cc3[nH]2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is VSGSFVOQPPIFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O3S/c1-3-4-23-12(18)11(14(25)22(2)16(23)26)10(24)7-27-15-20-9-5-8(17)6-19-13(9)21-15/h5-6H,3-4,7,18H2,1-2H3,(H,19,20,21).
What are the key properties of 6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 408.87 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2448835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).