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

C15H23ClN6O2S — CID 34659969

IUPAC6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(Cc2nnsc2Cl)CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H23ClN6O2S/c1-4-5-6-22-13(17)11(14(23)18-15(22)24)21(7-9(2)3)8-10-12(16)25-20-19-10/h9H,4-8,17H2,1-3H3,(H,18,23,24)
InChIKeyAOPDTNKULKBMET-UHFFFAOYSA-N
MW386.91 g/mol
LogP2.09
Rot. Bonds8

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

6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione (PubChem CID 34659969) has the molecular formula C15H23ClN6O2S and a molecular weight of 386.91 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione
PubChem CID34659969
Molecular FormulaC15H23ClN6O2S
Molecular Weight386.91 g/mol
Exact Mass386.13
IUPAC Name6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(Cc2nnsc2Cl)CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H23ClN6O2S/c1-4-5-6-22-13(17)11(14(23)18-15(22)24)21(7-9(2)3)8-10-12(16)25-20-19-10/h9H,4-8,17H2,1-3H3,(H,18,23,24)
InChIKeyAOPDTNKULKBMET-UHFFFAOYSA-N
XLogP2.09
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43407959
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
3-[(5-Chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 43407931
3-[(5-Chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 43407963
6-Amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 46582696
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 56810737
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
CID 63262007
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63800500
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione
CID 63800661
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329119

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione (CID 34659969) is 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(Cc2nnsc2Cl)CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione?
The InChIKey is AOPDTNKULKBMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN6O2S/c1-4-5-6-22-13(17)11(14(23)18-15(22)24)21(7-9(2)3)8-10-12(16)25-20-19-10/h9H,4-8,17H2,1-3H3,(H,18,23,24).
What are the key properties of 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione has a molecular weight of 386.91 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 34659969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).