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

C14H21ClN6O2S — CID 24616814

IUPAC6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CCC)Cc2nnsc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C14H21ClN6O2S/c1-3-5-7-21-12(16)10(13(22)17-14(21)23)20(6-4-2)8-9-11(15)24-19-18-9/h3-8,16H2,1-2H3,(H,17,22,23)
InChIKeyMXJJYKWNQRUYLS-UHFFFAOYSA-N
MW372.88 g/mol
LogP1.84
Rot. Bonds8

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

6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione (PubChem CID 24616814) has the molecular formula C14H21ClN6O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione
PubChem CID24616814
Molecular FormulaC14H21ClN6O2S
Molecular Weight372.88 g/mol
Exact Mass372.11
IUPAC Name6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CCC)Cc2nnsc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C14H21ClN6O2S/c1-3-5-7-21-12(16)10(13(22)17-14(21)23)20(6-4-2)8-9-11(15)24-19-18-9/h3-8,16H2,1-2H3,(H,17,22,23)
InChIKeyMXJJYKWNQRUYLS-UHFFFAOYSA-N
XLogP1.84
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione (CID 24616814) is 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(CCC)Cc2nnsc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione?
The InChIKey is MXJJYKWNQRUYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN6O2S/c1-3-5-7-21-12(16)10(13(22)17-14(21)23)20(6-4-2)8-9-11(15)24-19-18-9/h3-8,16H2,1-2H3,(H,17,22,23).
What are the key properties of 6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione has a molecular weight of 372.88 g/mol, XLogP of 1.84, 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-propylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 24616814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).