1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea

C19H19N5O5 — CID 71417058

IUPAC1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea
SMILESO=C(Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1)Nc1cccc2ncccc12
InChIInChI=1S/C19H19N5O5/c25-10-15-14(26)9-17(29-15)24-8-6-16(23-19(24)28)22-18(27)21-13-5-1-4-12-11(13)3-2-7-20-12/h1-8,14-15,17,25-26H,9-10H2,(H2,21,22,23,27,28)/t14-,15+,17+/m0/s1
InChIKeyIJPLZIVAABZSSD-ZMSDIMECSA-N
MW397.39 g/mol
LogP1.08
Rot. Bonds4

About 1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea

1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea (PubChem CID 71417058) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is 1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea.

Molecular Properties

Compound Name1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea
PubChem CID71417058
Molecular FormulaC19H19N5O5
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea
SMILESO=C(Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1)Nc1cccc2ncccc12
InChIInChI=1S/C19H19N5O5/c25-10-15-14(26)9-17(29-15)24-8-6-16(23-19(24)28)22-18(27)21-13-5-1-4-12-11(13)3-2-7-20-12/h1-8,14-15,17,25-26H,9-10H2,(H2,21,22,23,27,28)/t14-,15+,17+/m0/s1
InChIKeyIJPLZIVAABZSSD-ZMSDIMECSA-N
XLogP1.08
TPSA138.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-phenylurea
CID 15375899
N-[1-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
CID 7282363
N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-3-carboxamide
CID 11727293
N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide
CID 10958519
CID 122234032
CID 122234032
N-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methylbenzamide
CID 18736624
N-[1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexanamide
CID 155602775
2-trimethylsilylethyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 102072040
3-[[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]propanenitrile
CID 10779105
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107
4-[bis(2,2-dimethylaziridin-1-yl)phosphorylamino]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 14775402
[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate
CID 176863778

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea?
The IUPAC name of 1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea (CID 71417058) is 1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea.
What is the SMILES notation for 1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea?
The canonical SMILES for 1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea is O=C(Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1)Nc1cccc2ncccc12.
What is the InChIKey of 1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea?
The InChIKey is IJPLZIVAABZSSD-ZMSDIMECSA-N. The full InChI is InChI=1S/C19H19N5O5/c25-10-15-14(26)9-17(29-15)24-8-6-16(23-19(24)28)22-18(27)21-13-5-1-4-12-11(13)3-2-7-20-12/h1-8,14-15,17,25-26H,9-10H2,(H2,21,22,23,27,28)/t14-,15+,17+/m0/s1.
What are the key properties of 1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea?
1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea has a molecular weight of 397.39 g/mol, XLogP of 1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-quinolin-5-ylurea is sourced from PubChem (CID 71417058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).