5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione

C25H28N2O5 — CID 10741582

IUPAC5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione
SMILESCc1ccc(OC[C@H]2O[C@@H](Cn3cc(C)c(=O)[nH]c3=O)C[C@@H]2Oc2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N2O5/c1-16-4-8-19(9-5-16)30-15-23-22(31-20-10-6-17(2)7-11-20)12-21(32-23)14-27-13-18(3)24(28)26-25(27)29/h4-11,13,21-23H,12,14-15H2,1-3H3,(H,26,28,29)/t21-,22+,23-/m1/s1
InChIKeyMRNBCOSUBDDMOO-XPWALMASSA-N
MW436.51 g/mol
LogP3.15
Rot. Bonds7

About 5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione

5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 10741582) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID10741582
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione
SMILESCc1ccc(OC[C@H]2O[C@@H](Cn3cc(C)c(=O)[nH]c3=O)C[C@@H]2Oc2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N2O5/c1-16-4-8-19(9-5-16)30-15-23-22(31-20-10-6-17(2)7-11-20)12-21(32-23)14-27-13-18(3)24(28)26-25(27)29/h4-11,13,21-23H,12,14-15H2,1-3H3,(H,26,28,29)/t21-,22+,23-/m1/s1
InChIKeyMRNBCOSUBDDMOO-XPWALMASSA-N
XLogP3.15
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10801040
1-[[(2S,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(hydroxymethyl)oxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10554855
1-[(2R,4S,5R)-5-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-4-pyridin-4-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101464811
1-[[(2S,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10745415
(5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one
CID 102411756
[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(4-nitrophenoxy)methyl]oxolan-3-yl] dihydrogen phosphate
CID 23519718
1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]triazole-4-carboxylic acid
CID 102467056
[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-methylphenyl)sulfonyloxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
CID 10053295
[(2R,3R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(4-methylphenyl)sulfonyloxymethyl]oxolan-3-yl] acetate
CID 40778149
1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 712759
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione
CID 60734792
[(2S,3R,5R)-3-[(4-methoxyphenoxy)methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 11037583

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione (CID 10741582) is 5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione is Cc1ccc(OC[C@H]2O[C@@H](Cn3cc(C)c(=O)[nH]c3=O)C[C@@H]2Oc2ccc(C)cc2)cc1.
What is the InChIKey of 5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is MRNBCOSUBDDMOO-XPWALMASSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-16-4-8-19(9-5-16)30-15-23-22(31-20-10-6-17(2)7-11-20)12-21(32-23)14-27-13-18(3)24(28)26-25(27)29/h4-11,13,21-23H,12,14-15H2,1-3H3,(H,26,28,29)/t21-,22+,23-/m1/s1.
What are the key properties of 5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione?
5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 436.51 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 10741582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).