6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione

C11H13N5O2S — CID 3436896

IUPAC6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione
SMILESCc1ccnc(Sc2c(N)n(C)c(=O)n(C)c2=O)n1
InChIInChI=1S/C11H13N5O2S/c1-6-4-5-13-10(14-6)19-7-8(12)15(2)11(18)16(3)9(7)17/h4-5H,12H2,1-3H3
InChIKeyILNPSHRHVSBPHO-UHFFFAOYSA-N
MW279.32 g/mol
LogP-0.08
Rot. Bonds2

About 6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione (PubChem CID 3436896) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione
PubChem CID3436896
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione
SMILESCc1ccnc(Sc2c(N)n(C)c(=O)n(C)c2=O)n1
InChIInChI=1S/C11H13N5O2S/c1-6-4-5-13-10(14-6)19-7-8(12)15(2)11(18)16(3)9(7)17/h4-5H,12H2,1-3H3
InChIKeyILNPSHRHVSBPHO-UHFFFAOYSA-N
XLogP-0.08
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione (CID 3436896) is 6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione is Cc1ccnc(Sc2c(N)n(C)c(=O)n(C)c2=O)n1.
What is the InChIKey of 6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione?
The InChIKey is ILNPSHRHVSBPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-6-4-5-13-10(14-6)19-7-8(12)15(2)11(18)16(3)9(7)17/h4-5H,12H2,1-3H3.
What are the key properties of 6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione has a molecular weight of 279.32 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-dione is sourced from PubChem (CID 3436896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).