N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide

C10H14N4O4 — CID 10844255

IUPACN-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide
SMILESN[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC=O
InChIInChI=1S/C10H14N4O4/c11-6-3-9(18-7(6)4-12-5-15)14-2-1-8(16)13-10(14)17/h1-2,5-7,9H,3-4,11H2,(H,12,15)(H,13,16,17)/t6-,7+,9+/m0/s1
InChIKeyGEVVWXXMBLNUOS-LKEWCRSYSA-N
MW254.25 g/mol
LogP-2.10
Rot. Bonds4

About N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide

N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide (PubChem CID 10844255) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide
PubChem CID10844255
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC NameN-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide
SMILESN[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC=O
InChIInChI=1S/C10H14N4O4/c11-6-3-9(18-7(6)4-12-5-15)14-2-1-8(16)13-10(14)17/h1-2,5-7,9H,3-4,11H2,(H,12,15)(H,13,16,17)/t6-,7+,9+/m0/s1
InChIKeyGEVVWXXMBLNUOS-LKEWCRSYSA-N
XLogP-2.10
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 ≤ 5-2.10
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

N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]formamide
CID 14842983
(E)-2-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]but-2-enal
CID 121487473
1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 21120134
N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide
CID 10735166
1-[(2R,4S,5S,6R)-4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 57113962
(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-3-carbaldehyde
CID 3011752
1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione
CID 58159388
[[(3R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 174078762
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 123691114
[(2S,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylbenzoate
CID 73013121

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide?
The IUPAC name of N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide (CID 10844255) is N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide.
What is the SMILES notation for N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide?
The canonical SMILES for N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide is N[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC=O.
What is the InChIKey of N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide?
The InChIKey is GEVVWXXMBLNUOS-LKEWCRSYSA-N. The full InChI is InChI=1S/C10H14N4O4/c11-6-3-9(18-7(6)4-12-5-15)14-2-1-8(16)13-10(14)17/h1-2,5-7,9H,3-4,11H2,(H,12,15)(H,13,16,17)/t6-,7+,9+/m0/s1.
What are the key properties of N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide?
N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide has a molecular weight of 254.25 g/mol, XLogP of -2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]formamide is sourced from PubChem (CID 10844255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).