6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione

C13H19N5O2S — CID 104577376

IUPAC6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCc2cncs2)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N5O2S/c1-3-4-5-18-11(14)10(12(19)17(2)13(18)20)16-7-9-6-15-8-21-9/h6,8,16H,3-5,7,14H2,1-2H3
InChIKeyOCVUCEMHKCILGM-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.00
Rot. Bonds6

About 6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione

6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione (PubChem CID 104577376) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione
PubChem CID104577376
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCc2cncs2)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N5O2S/c1-3-4-5-18-11(14)10(12(19)17(2)13(18)20)16-7-9-6-15-8-21-9/h6,8,16H,3-5,7,14H2,1-2H3
InChIKeyOCVUCEMHKCILGM-UHFFFAOYSA-N
XLogP1.00
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-1-butyl-5-(2,2-dimethylbutylamino)-3-methylpyrimidine-2,4-dione
CID 103462651
6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione
CID 61362996
6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 106382042
6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione
CID 60676616
6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione
CID 115624744
6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione
CID 79480764
6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
CID 60676346
6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride
CID 54603641
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide
CID 60677988
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea
CID 83112782
6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106158493

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione (CID 104577376) is 6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione is CCCCn1c(N)c(NCc2cncs2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione?
The InChIKey is OCVUCEMHKCILGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-4-5-18-11(14)10(12(19)17(2)13(18)20)16-7-9-6-15-8-21-9/h6,8,16H,3-5,7,14H2,1-2H3.
What are the key properties of 6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione?
6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione has a molecular weight of 309.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 104577376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).