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

C13H19N5O2S — CID 63830274

IUPAC6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCc2cscn2)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N5O2S/c1-3-6-18-11(14)10(12(19)17(2)13(18)20)15-5-4-9-7-21-8-16-9/h7-8,15H,3-6,14H2,1-2H3
InChIKeyLGVBLBOFFAPPIA-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.65
Rot. Bonds6

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

6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione (PubChem CID 63830274) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
PubChem CID63830274
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCc2cscn2)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N5O2S/c1-3-6-18-11(14)10(12(19)17(2)13(18)20)15-5-4-9-7-21-8-16-9/h7-8,15H,3-6,14H2,1-2H3
InChIKeyLGVBLBOFFAPPIA-UHFFFAOYSA-N
XLogP0.65
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 95614795
N-[2-(4-isopropyl-1,3-thiazol-2-yl)ethyl]-2-oxo-2,3-dihydro-1H-imidazole-4-carboxamide
CID 124208715
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
3-acetamido-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 71893406
5-hydroxy-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)pyrazine-2-carboxamide
CID 91761158
N-methyl-2-[2-(1,3-thiazol-4-yl)ethylamino]acetamide
CID 169963941
1-(Aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride
CID 175802168
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8303894
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8304001
[4-(4-Amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9174282

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione (CID 63830274) is 6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione is CCCn1c(N)c(NCCc2cscn2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is LGVBLBOFFAPPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-6-18-11(14)10(12(19)17(2)13(18)20)15-5-4-9-7-21-8-16-9/h7-8,15H,3-6,14H2,1-2H3.
What are the key properties of 6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 309.39 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 63830274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).