N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine

C20H22N4O — CID 56584629

IUPACN-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1ccccc1CN(C)c1nc(-c2ccccn2)nc(C)c1C
InChIInChI=1S/C20H22N4O/c1-14-15(2)22-19(17-10-7-8-12-21-17)23-20(14)24(3)13-16-9-5-6-11-18(16)25-4/h5-12H,13H2,1-4H3
InChIKeyDCNADXYMXYFDMB-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.80
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine

N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 56584629) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID56584629
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1ccccc1CN(C)c1nc(-c2ccccn2)nc(C)c1C
InChIInChI=1S/C20H22N4O/c1-14-15(2)22-19(17-10-7-8-12-21-17)23-20(14)24(3)13-16-9-5-6-11-18(16)25-4/h5-12H,13H2,1-4H3
InChIKeyDCNADXYMXYFDMB-UHFFFAOYSA-N
XLogP3.80
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine (CID 56584629) is N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine is COc1ccccc1CN(C)c1nc(-c2ccccn2)nc(C)c1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is DCNADXYMXYFDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-15(2)22-19(17-10-7-8-12-21-17)23-20(14)24(3)13-16-9-5-6-11-18(16)25-4/h5-12H,13H2,1-4H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 334.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56584629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).