6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

C18H26N6O3S — CID 42986879

IUPAC6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1nnc(SC(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1C1CCCCC1
InChIInChI=1S/C18H26N6O3S/c1-10(14(25)13-15(19)22(3)18(27)23(4)16(13)26)28-17-21-20-11(2)24(17)12-8-6-5-7-9-12/h10,12H,5-9,19H2,1-4H3
InChIKeyQDXQZQUEWCMMQT-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.43
Rot. Bonds5

About 6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 42986879) has the molecular formula C18H26N6O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID42986879
Molecular FormulaC18H26N6O3S
Molecular Weight406.51 g/mol
Exact Mass406.18
IUPAC Name6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1nnc(SC(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1C1CCCCC1
InChIInChI=1S/C18H26N6O3S/c1-10(14(25)13-15(19)22(3)18(27)23(4)16(13)26)28-17-21-20-11(2)24(17)12-8-6-5-7-9-12/h10,12H,5-9,19H2,1-4H3
InChIKeyQDXQZQUEWCMMQT-UHFFFAOYSA-N
XLogP1.43
TPSA117.80 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (CID 42986879) is 6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1nnc(SC(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1C1CCCCC1.
What is the InChIKey of 6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QDXQZQUEWCMMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S/c1-10(14(25)13-15(19)22(3)18(27)23(4)16(13)26)28-17-21-20-11(2)24(17)12-8-6-5-7-9-12/h10,12H,5-9,19H2,1-4H3.
What are the key properties of 6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 406.51 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 42986879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).