methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate

C12H20N4O4 — CID 60661545

IUPACmethyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate
SMILESCCCCn1c(N)c(NCCC(=O)OC)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O4/c1-3-4-7-16-10(13)9(11(18)15-12(16)19)14-6-5-8(17)20-2/h14H,3-7,13H2,1-2H3,(H,15,18,19)
InChIKeyIXDHEVHBOTVJLF-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.11
Rot. Bonds7

About methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate

methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate (PubChem CID 60661545) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate
PubChem CID60661545
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Namemethyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate
SMILESCCCCn1c(N)c(NCCC(=O)OC)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O4/c1-3-4-7-16-10(13)9(11(18)15-12(16)19)14-6-5-8(17)20-2/h14H,3-7,13H2,1-2H3,(H,15,18,19)
InChIKeyIXDHEVHBOTVJLF-UHFFFAOYSA-N
XLogP-0.11
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate with MolForge

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Related Compounds

5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
CID 106238995
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
CID 61169718
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethylacetamide
CID 60661495
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione
CID 104925628
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-1-butyl-5-[(2-hydroxy-2-methylbutyl)amino]pyrimidine-2,4-dione
CID 62947582
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide
CID 60702032
6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione
CID 115571526

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate?
The IUPAC name of methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate (CID 60661545) is methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate is CCCCn1c(N)c(NCCC(=O)OC)c(=O)[nH]c1=O.
What is the InChIKey of methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate?
The InChIKey is IXDHEVHBOTVJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-3-4-7-16-10(13)9(11(18)15-12(16)19)14-6-5-8(17)20-2/h14H,3-7,13H2,1-2H3,(H,15,18,19).
What are the key properties of methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate?
methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate has a molecular weight of 284.32 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate is sourced from PubChem (CID 60661545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).