6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione

C11H15N7O3S — CID 2460454

IUPAC6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nnnn2C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N7O3S/c1-3-4-18-8(12)7(9(20)13-10(18)21)6(19)5-22-11-14-15-16-17(11)2/h3-5,12H2,1-2H3,(H,13,20,21)
InChIKeyOJIGHUVKCZGPQW-UHFFFAOYSA-N
MW325.35 g/mol
LogP-0.97
Rot. Bonds6

About 6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 2460454) has the molecular formula C11H15N7O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is 6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
PubChem CID2460454
Molecular FormulaC11H15N7O3S
Molecular Weight325.35 g/mol
Exact Mass325.10
IUPAC Name6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nnnn2C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N7O3S/c1-3-4-18-8(12)7(9(20)13-10(18)21)6(19)5-22-11-14-15-16-17(11)2/h3-5,12H2,1-2H3,(H,13,20,21)
InChIKeyOJIGHUVKCZGPQW-UHFFFAOYSA-N
XLogP-0.97
TPSA141.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione (CID 2460454) is 6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2nnnn2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is OJIGHUVKCZGPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O3S/c1-3-4-18-8(12)7(9(20)13-10(18)21)6(19)5-22-11-14-15-16-17(11)2/h3-5,12H2,1-2H3,(H,13,20,21).
What are the key properties of 6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 325.35 g/mol, XLogP of -0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2460454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).