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

C9H11N5O2S — CID 55220178

IUPAC6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione
SMILESCn1c(N)c(NCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C9H11N5O2S/c1-14-7(10)6(8(15)13-9(14)16)11-2-5-3-17-4-12-5/h3-4,11H,2,10H2,1H3,(H,13,15,16)
InChIKeySVQZBIDWQPQKNE-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.28
Rot. Bonds3

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

6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione (PubChem CID 55220178) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione
PubChem CID55220178
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione
SMILESCn1c(N)c(NCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C9H11N5O2S/c1-14-7(10)6(8(15)13-9(14)16)11-2-5-3-17-4-12-5/h3-4,11H,2,10H2,1H3,(H,13,15,16)
InChIKeySVQZBIDWQPQKNE-UHFFFAOYSA-N
XLogP-0.28
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione (CID 55220178) is 6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione is Cn1c(N)c(NCc2cscn2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione?
The InChIKey is SVQZBIDWQPQKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-14-7(10)6(8(15)13-9(14)16)11-2-5-3-17-4-12-5/h3-4,11H,2,10H2,1H3,(H,13,15,16).
What are the key properties of 6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione has a molecular weight of 253.29 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 55220178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).