N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide

C26H28FN3O6 — CID 162644518

IUPACN-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)N(C)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O
InChIInChI=1S/C26H28FN3O6/c1-15(2)18-11-19(22(32)12-21(18)31)24(33)28(3)17-8-6-16(7-9-17)13-30-25(34)20(27)14-29(26(30)35)23-5-4-10-36-23/h6-9,11-12,14-15,23,31-32H,4-5,10,13H2,1-3H3
InChIKeyOFCGMQSJDJBNGZ-UHFFFAOYSA-N
MW497.52 g/mol
LogP3.32
Rot. Bonds6

About N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide

N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide (PubChem CID 162644518) has the molecular formula C26H28FN3O6 and a molecular weight of 497.52 g/mol. Its IUPAC name is N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide
PubChem CID162644518
Molecular FormulaC26H28FN3O6
Molecular Weight497.52 g/mol
Exact Mass497.20
IUPAC NameN-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)N(C)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O
InChIInChI=1S/C26H28FN3O6/c1-15(2)18-11-19(22(32)12-21(18)31)24(33)28(3)17-8-6-16(7-9-17)13-30-25(34)20(27)14-29(26(30)35)23-5-4-10-36-23/h6-9,11-12,14-15,23,31-32H,4-5,10,13H2,1-3H3
InChIKeyOFCGMQSJDJBNGZ-UHFFFAOYSA-N
XLogP3.32
TPSA114.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide?
The IUPAC name of N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide (CID 162644518) is N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide?
The canonical SMILES for N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide is CC(C)c1cc(C(=O)N(C)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O.
What is the InChIKey of N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide?
The InChIKey is OFCGMQSJDJBNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O6/c1-15(2)18-11-19(22(32)12-21(18)31)24(33)28(3)17-8-6-16(7-9-17)13-30-25(34)20(27)14-29(26(30)35)23-5-4-10-36-23/h6-9,11-12,14-15,23,31-32H,4-5,10,13H2,1-3H3.
What are the key properties of N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide?
N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide has a molecular weight of 497.52 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 162644518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).