N-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide

C10H14N4O4 — CID 121487471

IUPACN-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide
SMILESNC[C@@H]1CC[C@H](n2cc(NC=O)c(=O)[nH]c2=O)O1
InChIInChI=1S/C10H14N4O4/c11-3-6-1-2-8(18-6)14-4-7(12-5-15)9(16)13-10(14)17/h4-6,8H,1-3,11H2,(H,12,15)(H,13,16,17)/t6-,8+/m0/s1
InChIKeyGSTYFWHXGCPDFX-POYBYMJQSA-N
MW254.25 g/mol
LogP-1.26
Rot. Bonds4

About N-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide

N-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide (PubChem CID 121487471) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide
PubChem CID121487471
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC NameN-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide
SMILESNC[C@@H]1CC[C@H](n2cc(NC=O)c(=O)[nH]c2=O)O1
InChIInChI=1S/C10H14N4O4/c11-3-6-1-2-8(18-6)14-4-7(12-5-15)9(16)13-10(14)17/h4-6,8H,1-3,11H2,(H,12,15)(H,13,16,17)/t6-,8+/m0/s1
InChIKeyGSTYFWHXGCPDFX-POYBYMJQSA-N
XLogP-1.26
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
[(2S,5R)-5-[5-[(E)-3-aminoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 59806215
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-aminoacetate
CID 153342279
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 170193041
5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione
CID 89276023
methanethiol;[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxythallium
CID 142985854
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 169201537
5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70925341
ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 142985863
[5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol
CID 153342401
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propanoate
CID 67831429

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide?
The IUPAC name of N-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide (CID 121487471) is N-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide.
What is the SMILES notation for N-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide?
The canonical SMILES for N-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide is NC[C@@H]1CC[C@H](n2cc(NC=O)c(=O)[nH]c2=O)O1.
What is the InChIKey of N-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide?
The InChIKey is GSTYFWHXGCPDFX-POYBYMJQSA-N. The full InChI is InChI=1S/C10H14N4O4/c11-3-6-1-2-8(18-6)14-4-7(12-5-15)9(16)13-10(14)17/h4-6,8H,1-3,11H2,(H,12,15)(H,13,16,17)/t6-,8+/m0/s1.
What are the key properties of N-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide?
N-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide has a molecular weight of 254.25 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]formamide is sourced from PubChem (CID 121487471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).