N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine

C21H24N4O — CID 56585256

IUPACN-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCOc1ccc(C(C)Nc2nc(-c3ccccn3)nc(C)c2C)cc1
InChIInChI=1S/C21H24N4O/c1-5-26-18-11-9-17(10-12-18)16(4)24-20-14(2)15(3)23-21(25-20)19-8-6-7-13-22-19/h6-13,16H,5H2,1-4H3,(H,23,24,25)
InChIKeyANOTVHVBTQQTDV-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.73
Rot. Bonds6

About N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine

N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 56585256) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID56585256
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCOc1ccc(C(C)Nc2nc(-c3ccccn3)nc(C)c2C)cc1
InChIInChI=1S/C21H24N4O/c1-5-26-18-11-9-17(10-12-18)16(4)24-20-14(2)15(3)23-21(25-20)19-8-6-7-13-22-19/h6-13,16H,5H2,1-4H3,(H,23,24,25)
InChIKeyANOTVHVBTQQTDV-UHFFFAOYSA-N
XLogP4.73
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133295176
4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 56564094
N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56564118
N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56563768
2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 124626058
N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 62744443
3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline
CID 107630164
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 55203039
N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591068
2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline
CID 107597432
5-chloro-N,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 2740170
4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide
CID 133290912

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine (CID 56585256) is N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine is CCOc1ccc(C(C)Nc2nc(-c3ccccn3)nc(C)c2C)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is ANOTVHVBTQQTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-5-26-18-11-9-17(10-12-18)16(4)24-20-14(2)15(3)23-21(25-20)19-8-6-7-13-22-19/h6-13,16H,5H2,1-4H3,(H,23,24,25).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56585256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).