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

C12H16N4O2S — CID 63830060

IUPAC1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCCc2cscn2)c(=O)n(C)c1=O
InChIInChI=1S/C12H16N4O2S/c1-15-6-9(11(17)16(2)12(15)18)5-13-4-3-10-7-19-8-14-10/h6-8,13H,3-5H2,1-2H3
InChIKeyFPFHBCNKPJEFHS-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.13
Rot. Bonds5

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

1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione (PubChem CID 63830060) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione
PubChem CID63830060
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCCc2cscn2)c(=O)n(C)c1=O
InChIInChI=1S/C12H16N4O2S/c1-15-6-9(11(17)16(2)12(15)18)5-13-4-3-10-7-19-8-14-10/h6-8,13H,3-5H2,1-2H3
InChIKeyFPFHBCNKPJEFHS-UHFFFAOYSA-N
XLogP-0.13
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-5-(4-methyl-2-thiazolyl)-2,4(1H,3H)-pyrimidinedione
CID 47002148
6-chloro-5-fluoro-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104372569
5-Fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
CID 112600708
2-[4-amino-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-2,6-dioxopyrimidin-1-yl]-N-propylacetamide
CID 25673448
6-Amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
CID 51121071
5-(2-Methyl-1,3-thiazol-4-yl)pyrimidine-2,4(1h,3h)-dione
CID 238867
5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione
CID 11535741
5-(2-methyl-1,3-thiazol-4-yl)-2,4(1H,3H)-pyrimidinedione hydrochloride
CID 67519693
5-(4-methyl-1,3-thiazol-2-yl)-2,4(1H,3H)-pyrimidinedione
CID 135990572
6-Amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 7131123
6-Amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione
CID 8004839
2-[4-(4-Amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9174002

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione (CID 63830060) is 1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione is Cn1cc(CNCCc2cscn2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is FPFHBCNKPJEFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-15-6-9(11(17)16(2)12(15)18)5-13-4-3-10-7-19-8-14-10/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 280.35 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63830060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).