N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide

C15H22N4O6 — CID 45378848

IUPACN-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide
SMILESCc1cn([C@H]2C[C@H](NC(=O)N3CCOCC3)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C15H22N4O6/c1-9-7-19(15(23)17-13(9)21)12-6-10(11(8-20)25-12)16-14(22)18-2-4-24-5-3-18/h7,10-12,20H,2-6,8H2,1H3,(H,16,22)(H,17,21,23)/t10-,11+,12+/m0/s1
InChIKeyIOBQOVCIPYCWFC-QJPTWQEYSA-N
MW354.36 g/mol
LogP-1.46
Rot. Bonds3

About N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide

N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide (PubChem CID 45378848) has the molecular formula C15H22N4O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide
PubChem CID45378848
Molecular FormulaC15H22N4O6
Molecular Weight354.36 g/mol
Exact Mass354.15
IUPAC NameN-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide
SMILESCc1cn([C@H]2C[C@H](NC(=O)N3CCOCC3)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C15H22N4O6/c1-9-7-19(15(23)17-13(9)21)12-6-10(11(8-20)25-12)16-14(22)18-2-4-24-5-3-18/h7,10-12,20H,2-6,8H2,1H3,(H,16,22)(H,17,21,23)/t10-,11+,12+/m0/s1
InChIKeyIOBQOVCIPYCWFC-QJPTWQEYSA-N
XLogP-1.46
TPSA125.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]-2-oxoacetic acid
CID 44552271
2-bromo-N-[(2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetamide
CID 56975476
1-[(2R,4R,5S)-5-(hydroxymethyl)-4-(methoxyamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 500209
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
1,3-dioxolane;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 66763834
1-[(2S,5R)-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 154531744
methyl (2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate
CID 11369613
[(2R,3R,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 26236818
1-[(2R,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 21120354
1-[4-chloro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14035977

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide (CID 45378848) is N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide is Cc1cn([C@H]2C[C@H](NC(=O)N3CCOCC3)[C@@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide?
The InChIKey is IOBQOVCIPYCWFC-QJPTWQEYSA-N. The full InChI is InChI=1S/C15H22N4O6/c1-9-7-19(15(23)17-13(9)21)12-6-10(11(8-20)25-12)16-14(22)18-2-4-24-5-3-18/h7,10-12,20H,2-6,8H2,1H3,(H,16,22)(H,17,21,23)/t10-,11+,12+/m0/s1.
What are the key properties of N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide?
N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide has a molecular weight of 354.36 g/mol, XLogP of -1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 45378848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).