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

C15H23ClN6O2S — CID 46582696

IUPAC6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)CN(Cc1nnsc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H23ClN6O2S/c1-8(2)5-21(7-10-12(16)25-20-19-10)11-13(17)22(6-9(3)4)15(24)18-14(11)23/h8-9H,5-7,17H2,1-4H3,(H,18,23,24)
InChIKeyKJHAMOMFVJJVJJ-UHFFFAOYSA-N
MW386.91 g/mol
LogP1.94
Rot. Bonds7

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

6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 46582696) has the molecular formula C15H23ClN6O2S and a molecular weight of 386.91 g/mol. Its IUPAC name is 6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID46582696
Molecular FormulaC15H23ClN6O2S
Molecular Weight386.91 g/mol
Exact Mass386.13
IUPAC Name6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)CN(Cc1nnsc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H23ClN6O2S/c1-8(2)5-21(7-10-12(16)25-20-19-10)11-13(17)22(6-9(3)4)15(24)18-14(11)23/h8-9H,5-7,17H2,1-4H3,(H,18,23,24)
InChIKeyKJHAMOMFVJJVJJ-UHFFFAOYSA-N
XLogP1.94
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

3-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43407959
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63557984
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]pyrimidine-2,4-dione
CID 24595594
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione
CID 24616814
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione
CID 30768457
N-tert-butyl-2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]acetamide
CID 32104543
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 34659969
3-[(5-Chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 43407931
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 43407937
3-[(5-Chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 43407963
1-[(5-Chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 43407993
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 56810737

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 46582696) is 6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)CN(Cc1nnsc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is KJHAMOMFVJJVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN6O2S/c1-8(2)5-21(7-10-12(16)25-20-19-10)11-13(17)22(6-9(3)4)15(24)18-14(11)23/h8-9H,5-7,17H2,1-4H3,(H,18,23,24).
What are the key properties of 6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 386.91 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 46582696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).