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

C10H13N7O3S — CID 2109821

IUPAC6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCn1nnnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H13N7O3S/c1-15-7(11)6(8(19)16(2)10(15)20)5(18)4-21-9-12-13-14-17(9)3/h4,11H2,1-3H3
InChIKeyCSMPAPLFSRCGDT-UHFFFAOYSA-N
MW311.33 g/mol
LogP-1.84
Rot. Bonds4

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

6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 2109821) has the molecular formula C10H13N7O3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID2109821
Molecular FormulaC10H13N7O3S
Molecular Weight311.33 g/mol
Exact Mass311.08
IUPAC Name6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCn1nnnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H13N7O3S/c1-15-7(11)6(8(19)16(2)10(15)20)5(18)4-21-9-12-13-14-17(9)3/h4,11H2,1-3H3
InChIKeyCSMPAPLFSRCGDT-UHFFFAOYSA-N
XLogP-1.84
TPSA130.69 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.33
LogP ≤ 5-1.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione
CID 2352688
6-Amino-1-cyclopropyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 16297510
6-Amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 2630204
6-amino-5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2126359
6-Amino-1-cyclopropyl-5-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 16315240
6-Amino-1,3-dimethyl-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 2363187
6-Amino-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
CID 2460454
6-Amino-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 7675709
6-Amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 7866781
6-Amino-1-cyclopropyl-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 9268503
6-Amino-5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]-1-cyclopropylpyrimidine-2,4-dione
CID 16330112
6-Amino-1-cyclopropyl-5-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 16344432

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione (CID 2109821) is 6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione is Cn1nnnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is CSMPAPLFSRCGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O3S/c1-15-7(11)6(8(19)16(2)10(15)20)5(18)4-21-9-12-13-14-17(9)3/h4,11H2,1-3H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 311.33 g/mol, XLogP of -1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2109821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).