1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione

C11H14N4O2S — CID 62197621

IUPAC1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCc2cscn2)c(=O)n(C)c1=O
InChIInChI=1S/C11H14N4O2S/c1-14-5-8(10(16)15(2)11(14)17)3-12-4-9-6-18-7-13-9/h5-7,12H,3-4H2,1-2H3
InChIKeyXWDYTPXRKRPAME-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.17
Rot. Bonds4

About 1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione (PubChem CID 62197621) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione
PubChem CID62197621
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCc2cscn2)c(=O)n(C)c1=O
InChIInChI=1S/C11H14N4O2S/c1-14-5-8(10(16)15(2)11(14)17)3-12-4-9-6-18-7-13-9/h5-7,12H,3-4H2,1-2H3
InChIKeyXWDYTPXRKRPAME-UHFFFAOYSA-N
XLogP-0.17
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione (CID 62197621) is 1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione is Cn1cc(CNCc2cscn2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is XWDYTPXRKRPAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-14-5-8(10(16)15(2)11(14)17)3-12-4-9-6-18-7-13-9/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 266.33 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62197621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).