N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine

C21H24N4O — CID 133319393

IUPACN-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCOc1ccccc1CN(C)c1nc(-c2cccnc2)nc(C)c1C
InChIInChI=1S/C21H24N4O/c1-5-26-19-11-7-6-9-18(19)14-25(4)21-15(2)16(3)23-20(24-21)17-10-8-12-22-13-17/h6-13H,5,14H2,1-4H3
InChIKeyXSTVUZMDBHKNGU-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.19
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine

N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 133319393) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID133319393
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCOc1ccccc1CN(C)c1nc(-c2cccnc2)nc(C)c1C
InChIInChI=1S/C21H24N4O/c1-5-26-19-11-7-6-9-18(19)14-25(4)21-15(2)16(3)23-20(24-21)17-10-8-12-22-13-17/h6-13H,5,14H2,1-4H3
InChIKeyXSTVUZMDBHKNGU-UHFFFAOYSA-N
XLogP4.19
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584629
3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 122064846
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584468
N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 7765679
N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133317332
N-[(2-ethoxyphenyl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001859
N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 166243723
N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine
CID 133460238
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280687
(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090047
N-(cyclopropylmethyl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133334209

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine (CID 133319393) is N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine is CCOc1ccccc1CN(C)c1nc(-c2cccnc2)nc(C)c1C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is XSTVUZMDBHKNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-5-26-19-11-7-6-9-18(19)14-25(4)21-15(2)16(3)23-20(24-21)17-10-8-12-22-13-17/h6-13H,5,14H2,1-4H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 133319393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).