6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione

C11H14N4O2S — CID 113222252

IUPAC6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione
SMILESCc1ccsc1CNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N4O2S/c1-6-3-4-18-7(6)5-13-8-9(12)15(2)11(17)14-10(8)16/h3-4,13H,5,12H2,1-2H3,(H,14,16,17)
InChIKeyIEXJCBZWZUQJIS-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.64
Rot. Bonds3

About 6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione

6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione (PubChem CID 113222252) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione
PubChem CID113222252
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione
SMILESCc1ccsc1CNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N4O2S/c1-6-3-4-18-7(6)5-13-8-9(12)15(2)11(17)14-10(8)16/h3-4,13H,5,12H2,1-2H3,(H,14,16,17)
InChIKeyIEXJCBZWZUQJIS-UHFFFAOYSA-N
XLogP0.64
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione
CID 114111521
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 54935174
2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452
4-N-[(3-methylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486426
6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione
CID 102699143
4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 63449338
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione
CID 113244340
N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860593
2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide
CID 104925721
2-fluoro-N-[(3-methylthiophen-2-yl)methyl]-6-nitroaniline
CID 81310346
6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione
CID 60649248
4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976380

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione (CID 113222252) is 6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione is Cc1ccsc1CNc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione?
The InChIKey is IEXJCBZWZUQJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-6-3-4-18-7(6)5-13-8-9(12)15(2)11(17)14-10(8)16/h3-4,13H,5,12H2,1-2H3,(H,14,16,17).
What are the key properties of 6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione?
6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione has a molecular weight of 266.33 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 113222252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).