6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione

C13H20N6O3 — CID 78834956

IUPAC6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)Cc2nnc(C)o2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N6O3/c1-4-5-6-19-11(14)10(12(20)15-13(19)21)18(3)7-9-17-16-8(2)22-9/h4-7,14H2,1-3H3,(H,15,20,21)
InChIKeyDITJKCWHWWBTOR-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.25
Rot. Bonds6

About 6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione (PubChem CID 78834956) has the molecular formula C13H20N6O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione
PubChem CID78834956
Molecular FormulaC13H20N6O3
Molecular Weight308.34 g/mol
Exact Mass308.16
IUPAC Name6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)Cc2nnc(C)o2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N6O3/c1-4-5-6-19-11(14)10(12(20)15-13(19)21)18(3)7-9-17-16-8(2)22-9/h4-7,14H2,1-3H3,(H,15,20,21)
InChIKeyDITJKCWHWWBTOR-UHFFFAOYSA-N
XLogP0.25
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 78833876
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 47281812
6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione
CID 47150405
6-amino-5-[(6-bromo-1,3-benzodioxol-5-yl)methyl-methylamino]-1-butylpyrimidine-2,4-dione
CID 112807483
ethyl 3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1-benzofuran-2-carboxylate
CID 55474866
6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione
CID 18136975
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 78834972
2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46673927
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 17411815
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(tert-butylcarbamoyl)acetamide
CID 55474865
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide
CID 55413717
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 18077285

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione (CID 78834956) is 6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(C)Cc2nnc(C)o2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione?
The InChIKey is DITJKCWHWWBTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O3/c1-4-5-6-19-11(14)10(12(20)15-13(19)21)18(3)7-9-17-16-8(2)22-9/h4-7,14H2,1-3H3,(H,15,20,21).
What are the key properties of 6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione has a molecular weight of 308.34 g/mol, XLogP of 0.25, 6 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-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 78834956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).