N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide

C10H13N3O4 — CID 113481514

IUPACN-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1c(O)cc(=O)[nH]c1=O)C1CC1
InChIInChI=1S/C10H13N3O4/c14-7-5-8(15)13(10(17)12-7)4-3-11-9(16)6-1-2-6/h5-6,15H,1-4H2,(H,11,16)(H,12,14,17)
InChIKeyQKAFTMLUXFNOLX-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.23
Rot. Bonds4

About N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide

N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 113481514) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide
PubChem CID113481514
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC NameN-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1c(O)cc(=O)[nH]c1=O)C1CC1
InChIInChI=1S/C10H13N3O4/c14-7-5-8(15)13(10(17)12-7)4-3-11-9(16)6-1-2-6/h5-6,15H,1-4H2,(H,11,16)(H,12,14,17)
InChIKeyQKAFTMLUXFNOLX-UHFFFAOYSA-N
XLogP-1.23
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide
CID 106338298
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N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-4-carboxamide
CID 119340858
(2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 97338296
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110792130
(1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 124754580
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide
CID 53159393
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclopropane-1-carboxamide
CID 115738006
N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide
CID 113481413
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropanecarboxamide
CID 26186571
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide
CID 91628946
methyl 3-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoate
CID 39354221

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide (CID 113481514) is N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide is O=C(NCCn1c(O)cc(=O)[nH]c1=O)C1CC1.
What is the InChIKey of N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is QKAFTMLUXFNOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-7-5-8(15)13(10(17)12-7)4-3-11-9(16)6-1-2-6/h5-6,15H,1-4H2,(H,11,16)(H,12,14,17).
What are the key properties of N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide?
N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 239.23 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113481514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).