1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione

C11H13N3O2S2 — CID 17437569

IUPAC1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione
SMILESCc1csc(SCc2cc(=O)n(C)c(=O)n2C)n1
InChIInChI=1S/C11H13N3O2S2/c1-7-5-17-10(12-7)18-6-8-4-9(15)14(3)11(16)13(8)2/h4-5H,6H2,1-3H3
InChIKeyPHXBFWMEZDXJMN-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.14
Rot. Bonds3

About 1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione (PubChem CID 17437569) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione
PubChem CID17437569
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione
SMILESCc1csc(SCc2cc(=O)n(C)c(=O)n2C)n1
InChIInChI=1S/C11H13N3O2S2/c1-7-5-17-10(12-7)18-6-8-4-9(15)14(3)11(16)13(8)2/h4-5H,6H2,1-3H3
InChIKeyPHXBFWMEZDXJMN-UHFFFAOYSA-N
XLogP1.14
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione (CID 17437569) is 1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione is Cc1csc(SCc2cc(=O)n(C)c(=O)n2C)n1.
What is the InChIKey of 1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione?
The InChIKey is PHXBFWMEZDXJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-7-5-17-10(12-7)18-6-8-4-9(15)14(3)11(16)13(8)2/h4-5H,6H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione has a molecular weight of 283.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 17437569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).