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

C10H13N5O2S — CID 55259887

IUPAC6-amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
SMILESCn1c(N)c(NCCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N5O2S/c1-15-8(11)7(9(16)14-10(15)17)12-3-2-6-4-18-5-13-6/h4-5,12H,2-3,11H2,1H3,(H,14,16,17)
InChIKeyRIVPNCWFVBTVTL-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.23
Rot. Bonds4

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

6-amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione (PubChem CID 55259887) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 6-amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
PubChem CID55259887
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name6-amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
SMILESCn1c(N)c(NCCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N5O2S/c1-15-8(11)7(9(16)14-10(15)17)12-3-2-6-4-18-5-13-6/h4-5,12H,2-3,11H2,1H3,(H,14,16,17)
InChIKeyRIVPNCWFVBTVTL-UHFFFAOYSA-N
XLogP-0.23
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.23
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-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione (CID 55259887) is 6-amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione is Cn1c(N)c(NCCc2cscn2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is RIVPNCWFVBTVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-15-8(11)7(9(16)14-10(15)17)12-3-2-6-4-18-5-13-6/h4-5,12H,2-3,11H2,1H3,(H,14,16,17).
What are the key properties of 6-amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
6-amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 267.31 g/mol, XLogP of -0.23, 4 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-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 55259887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).