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

C19H23N7O3S — CID 2615767

IUPAC6-amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2nnnc2SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C19H23N7O3S/c1-11(2)9-25-16(20)15(17(28)24(4)19(25)29)14(27)10-30-18-21-22-23-26(18)13-7-5-12(3)6-8-13/h5-8,11H,9-10,20H2,1-4H3
InChIKeyAWYYUOPNOHKLRV-UHFFFAOYSA-N
MW429.51 g/mol
LogP1.04
Rot. Bonds7

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

6-amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 2615767) has the molecular formula C19H23N7O3S and a molecular weight of 429.51 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID2615767
Molecular FormulaC19H23N7O3S
Molecular Weight429.51 g/mol
Exact Mass429.16
IUPAC Name6-amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2nnnc2SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C19H23N7O3S/c1-11(2)9-25-16(20)15(17(28)24(4)19(25)29)14(27)10-30-18-21-22-23-26(18)13-7-5-12(3)6-8-13/h5-8,11H,9-10,20H2,1-4H3
InChIKeyAWYYUOPNOHKLRV-UHFFFAOYSA-N
XLogP1.04
TPSA130.69 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.51
LogP ≤ 51.04
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-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 2615767) is 6-amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is Cc1ccc(-n2nnnc2SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 6-amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is AWYYUOPNOHKLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3S/c1-11(2)9-25-16(20)15(17(28)24(4)19(25)29)14(27)10-30-18-21-22-23-26(18)13-7-5-12(3)6-8-13/h5-8,11H,9-10,20H2,1-4H3.
What are the key properties of 6-amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 429.51 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2615767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).