6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione

C16H16N4O3S — CID 9174146

IUPAC6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(COc3ccccc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C16H16N4O3S/c1-2-20-14(17)13(15(21)19-16(20)22)11-9-24-12(18-11)8-23-10-6-4-3-5-7-10/h3-7,9H,2,8,17H2,1H3,(H,19,21,22)
InChIKeyANRHYVXNZKPMKM-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.84
Rot. Bonds5

About 6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione (PubChem CID 9174146) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
PubChem CID9174146
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(COc3ccccc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C16H16N4O3S/c1-2-20-14(17)13(15(21)19-16(20)22)11-9-24-12(18-11)8-23-10-6-4-3-5-7-10/h3-7,9H,2,8,17H2,1H3,(H,19,21,22)
InChIKeyANRHYVXNZKPMKM-UHFFFAOYSA-N
XLogP1.84
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione (CID 9174146) is 6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione is CCn1c(N)c(-c2csc(COc3ccccc3)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
The InChIKey is ANRHYVXNZKPMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-2-20-14(17)13(15(21)19-16(20)22)11-9-24-12(18-11)8-23-10-6-4-3-5-7-10/h3-7,9H,2,8,17H2,1H3,(H,19,21,22).
What are the key properties of 6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione has a molecular weight of 344.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 9174146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).