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

C10H12N4O2S — CID 7131123

IUPAC6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N4O2S/c1-3-14-8(11)7(9(15)13-10(14)16)6-4-17-5(2)12-6/h4H,3,11H2,1-2H3,(H,13,15,16)
InChIKeyWDMDTVYHJLCXDU-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.57
Rot. Bonds2

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

6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione (PubChem CID 7131123) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
PubChem CID7131123
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N4O2S/c1-3-14-8(11)7(9(15)13-10(14)16)6-4-17-5(2)12-6/h4H,3,11H2,1-2H3,(H,13,15,16)
InChIKeyWDMDTVYHJLCXDU-UHFFFAOYSA-N
XLogP0.57
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione (CID 7131123) is 6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione is CCn1c(N)c(-c2csc(C)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione?
The InChIKey is WDMDTVYHJLCXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-3-14-8(11)7(9(15)13-10(14)16)6-4-17-5(2)12-6/h4H,3,11H2,1-2H3,(H,13,15,16).
What are the key properties of 6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione has a molecular weight of 252.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 7131123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).