6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione

C9H11N5O2S — CID 25469654

IUPAC6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(-c2csc(N)n2)c(=O)n(C)c1=O
InChIInChI=1S/C9H11N5O2S/c1-13-6(10)5(4-3-17-8(11)12-4)7(15)14(2)9(13)16/h3H,10H2,1-2H3,(H2,11,12)
InChIKeyPHNOGIUTRHAPGK-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.63
Rot. Bonds1

About 6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 25469654) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID25469654
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(-c2csc(N)n2)c(=O)n(C)c1=O
InChIInChI=1S/C9H11N5O2S/c1-13-6(10)5(4-3-17-8(11)12-4)7(15)14(2)9(13)16/h3H,10H2,1-2H3,(H2,11,12)
InChIKeyPHNOGIUTRHAPGK-UHFFFAOYSA-N
XLogP-0.63
TPSA108.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione (CID 25469654) is 6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(-c2csc(N)n2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PHNOGIUTRHAPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-13-6(10)5(4-3-17-8(11)12-4)7(15)14(2)9(13)16/h3H,10H2,1-2H3,(H2,11,12).
What are the key properties of 6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 253.29 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 25469654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).