methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate

C21H21N3O4 — CID 159373368

IUPACmethyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1cc(Cc2cc(-c3ccccc3OC)ncn2)ccc1OC
InChIInChI=1S/C21H21N3O4/c1-26-19-7-5-4-6-16(19)17-12-15(22-13-23-17)10-14-8-9-20(27-2)18(11-14)24-21(25)28-3/h4-9,11-13H,10H2,1-3H3,(H,24,25)
InChIKeyQFFUARPQUQXFMB-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.93
Rot. Bonds6

About methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate

methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate (PubChem CID 159373368) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate
PubChem CID159373368
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Namemethyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1cc(Cc2cc(-c3ccccc3OC)ncn2)ccc1OC
InChIInChI=1S/C21H21N3O4/c1-26-19-7-5-4-6-16(19)17-12-15(22-13-23-17)10-14-8-9-20(27-2)18(11-14)24-21(25)28-3/h4-9,11-13H,10H2,1-3H3,(H,24,25)
InChIKeyQFFUARPQUQXFMB-UHFFFAOYSA-N
XLogP3.93
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methanesulfonyl chloride;2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]aniline;N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methanesulfonamide
CID 158147763
2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid
CID 161421648
2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol
CID 130232591
5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol
CID 160551262
N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine
CID 158170681
6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82288708
benzyl-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]azanium;2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzaldehyde;phenylmethanamine;chloride
CID 158170679
4-[(4-ethoxy-3-nitrophenyl)methyl]-6-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 158346630
4-(4-fluoro-2-methoxyphenyl)-6-[(4-fluoro-3-nitrophenyl)methyl]pyrimidine
CID 158346629
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylpropanamide
CID 59509155
5-[(6-chloropyrimidin-4-yl)methyl]-2-methoxyphenol;(4-fluoro-2-methoxyphenyl)boronic acid;5-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol
CID 159366322

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate (CID 159373368) is methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate is COC(=O)Nc1cc(Cc2cc(-c3ccccc3OC)ncn2)ccc1OC.
What is the InChIKey of methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate?
The InChIKey is QFFUARPQUQXFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-19-7-5-4-6-16(19)17-12-15(22-13-23-17)10-14-8-9-20(27-2)18(11-14)24-21(25)28-3/h4-9,11-13H,10H2,1-3H3,(H,24,25).
What are the key properties of methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate?
methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate has a molecular weight of 379.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate is sourced from PubChem (CID 159373368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).