6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione

C13H22N4O2S — CID 103704326

IUPAC6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2CCSC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2S/c1-8(2)6-17-11(14)10(12(18)16(3)13(17)19)15-9-4-5-20-7-9/h8-9,15H,4-7,14H2,1-3H3
InChIKeyCHYTVKWKRLDRMJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.70
Rot. Bonds4

About 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione

6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione (PubChem CID 103704326) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione
PubChem CID103704326
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2CCSC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2S/c1-8(2)6-17-11(14)10(12(18)16(3)13(17)19)15-9-4-5-20-7-9/h8-9,15H,4-7,14H2,1-3H3
InChIKeyCHYTVKWKRLDRMJ-UHFFFAOYSA-N
XLogP0.70
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione (CID 103704326) is 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(NC2CCSC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione?
The InChIKey is CHYTVKWKRLDRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-8(2)6-17-11(14)10(12(18)16(3)13(17)19)15-9-4-5-20-7-9/h8-9,15H,4-7,14H2,1-3H3.
What are the key properties of 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione?
6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione has a molecular weight of 298.41 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 103704326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).