N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine

C27H27N3O2 — CID 158170681

IUPACN-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine
SMILESCOc1ccc(Cc2cc(-c3ccccc3OC)ncn2)cc1CNCc1ccccc1
InChIInChI=1S/C27H27N3O2/c1-31-26-13-12-21(14-22(26)18-28-17-20-8-4-3-5-9-20)15-23-16-25(30-19-29-23)24-10-6-7-11-27(24)32-2/h3-14,16,19,28H,15,17-18H2,1-2H3
InChIKeyMUKUTSKOWAMFQT-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.04
Rot. Bonds9

About N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine

N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine (PubChem CID 158170681) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine
PubChem CID158170681
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine
SMILESCOc1ccc(Cc2cc(-c3ccccc3OC)ncn2)cc1CNCc1ccccc1
InChIInChI=1S/C27H27N3O2/c1-31-26-13-12-21(14-22(26)18-28-17-20-8-4-3-5-9-20)15-23-16-25(30-19-29-23)24-10-6-7-11-27(24)32-2/h3-14,16,19,28H,15,17-18H2,1-2H3
InChIKeyMUKUTSKOWAMFQT-UHFFFAOYSA-N
XLogP5.04
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine with MolForge

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Related Compounds

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
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
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
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
benzyl-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]azanium
CID 144580791
potassium;[3-(chloromethyl)-4-methoxyphenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium;2-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]isoindole-1,3-dione;molecular hydrogen;3-oxoisoindol-1-olate;chloride
CID 162237041
1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
CID 174192701
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82288708

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine (CID 158170681) is N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine is COc1ccc(Cc2cc(-c3ccccc3OC)ncn2)cc1CNCc1ccccc1.
What is the InChIKey of N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine?
The InChIKey is MUKUTSKOWAMFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-31-26-13-12-21(14-22(26)18-28-17-20-8-4-3-5-9-20)15-23-16-25(30-19-29-23)24-10-6-7-11-27(24)32-2/h3-14,16,19,28H,15,17-18H2,1-2H3.
What are the key properties of N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine?
N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine has a molecular weight of 425.53 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 158170681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).