6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione

C13H19N7O3S — CID 2630204

IUPAC6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CSc2nnnn2C)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N7O3S/c1-7(2)5-20-10(14)9(11(22)18(3)13(20)23)8(21)6-24-12-15-16-17-19(12)4/h7H,5-6,14H2,1-4H3
InChIKeyKFZALYRFNWQZHX-UHFFFAOYSA-N
MW353.41 g/mol
LogP-0.72
Rot. Bonds6

About 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione

6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 2630204) has the molecular formula C13H19N7O3S and a molecular weight of 353.41 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID2630204
Molecular FormulaC13H19N7O3S
Molecular Weight353.41 g/mol
Exact Mass353.13
IUPAC Name6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CSc2nnnn2C)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N7O3S/c1-7(2)5-20-10(14)9(11(22)18(3)13(20)23)8(21)6-24-12-15-16-17-19(12)4/h7H,5-6,14H2,1-4H3
InChIKeyKFZALYRFNWQZHX-UHFFFAOYSA-N
XLogP-0.72
TPSA130.69 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.41
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione (CID 2630204) is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CSc2nnnn2C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is KFZALYRFNWQZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O3S/c1-7(2)5-20-10(14)9(11(22)18(3)13(20)23)8(21)6-24-12-15-16-17-19(12)4/h7H,5-6,14H2,1-4H3.
What are the key properties of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 353.41 g/mol, XLogP of -0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2630204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).