1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione

C22H23N3O7 — CID 142312248

IUPAC1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione
SMILESCOc1ccccc1-c1ccnc(Cn2c(=O)ccn([C@@H]3O[C@H](CO)C(O)C3O)c2=O)c1
InChIInChI=1S/C22H23N3O7/c1-31-16-5-3-2-4-15(16)13-6-8-23-14(10-13)11-25-18(27)7-9-24(22(25)30)21-20(29)19(28)17(12-26)32-21/h2-10,17,19-21,26,28-29H,11-12H2,1H3/t17-,19?,20?,21-/m1/s1
InChIKeyQUXJBARPEQIYLF-WYNBGMTASA-N
MW441.44 g/mol
LogP-0.26
Rot. Bonds6

About 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione

1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione (PubChem CID 142312248) has the molecular formula C22H23N3O7 and a molecular weight of 441.44 g/mol. Its IUPAC name is 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione
PubChem CID142312248
Molecular FormulaC22H23N3O7
Molecular Weight441.44 g/mol
Exact Mass441.15
IUPAC Name1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione
SMILESCOc1ccccc1-c1ccnc(Cn2c(=O)ccn([C@@H]3O[C@H](CO)C(O)C3O)c2=O)c1
InChIInChI=1S/C22H23N3O7/c1-31-16-5-3-2-4-15(16)13-6-8-23-14(10-13)11-25-18(27)7-9-24(22(25)30)21-20(29)19(28)17(12-26)32-21/h2-10,17,19-21,26,28-29H,11-12H2,1H3/t17-,19?,20?,21-/m1/s1
InChIKeyQUXJBARPEQIYLF-WYNBGMTASA-N
XLogP-0.26
TPSA136.04 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione (CID 142312248) is 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione is COc1ccccc1-c1ccnc(Cn2c(=O)ccn([C@@H]3O[C@H](CO)C(O)C3O)c2=O)c1.
What is the InChIKey of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione?
The InChIKey is QUXJBARPEQIYLF-WYNBGMTASA-N. The full InChI is InChI=1S/C22H23N3O7/c1-31-16-5-3-2-4-15(16)13-6-8-23-14(10-13)11-25-18(27)7-9-24(22(25)30)21-20(29)19(28)17(12-26)32-21/h2-10,17,19-21,26,28-29H,11-12H2,1H3/t17-,19?,20?,21-/m1/s1.
What are the key properties of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione?
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione has a molecular weight of 441.44 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-(2-methoxyphenyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 142312248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).