1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine

C17H22N4O — CID 82191850

IUPAC1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
SMILESCCOc1ccccc1-c1cc(C)nc(N2CCC(N)C2)n1
InChIInChI=1S/C17H22N4O/c1-3-22-16-7-5-4-6-14(16)15-10-12(2)19-17(20-15)21-9-8-13(18)11-21/h4-7,10,13H,3,8-9,11,18H2,1-2H3
InChIKeyBPAZPERYJADMBT-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.39
Rot. Bonds4

About 1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine

1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 82191850) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID82191850
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
SMILESCCOc1ccccc1-c1cc(C)nc(N2CCC(N)C2)n1
InChIInChI=1S/C17H22N4O/c1-3-22-16-7-5-4-6-14(16)15-10-12(2)19-17(20-15)21-9-8-13(18)11-21/h4-7,10,13H,3,8-9,11,18H2,1-2H3
InChIKeyBPAZPERYJADMBT-UHFFFAOYSA-N
XLogP2.39
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
CID 82191849
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine
CID 112634785
1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114697742
4-[(3R)-3-aminopyrrolidin-1-yl]-N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 154793812
2-[(3R)-3-[(2-cyclopentylphenoxy)methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 175930848
1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine
CID 112635064
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635557
2-[3-[(2-cyclohexylphenoxy)methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 162662460
1-(4-ethoxy-3-methylphenyl)piperidin-4-amine
CID 63214437
4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine
CID 103278359
2-[2-(3-aminopyrrolidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-fluoro-6-methoxyphenyl)-3H-isoindol-1-one
CID 175365753

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine (CID 82191850) is 1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine is CCOc1ccccc1-c1cc(C)nc(N2CCC(N)C2)n1.
What is the InChIKey of 1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is BPAZPERYJADMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-22-16-7-5-4-6-14(16)15-10-12(2)19-17(20-15)21-9-8-13(18)11-21/h4-7,10,13H,3,8-9,11,18H2,1-2H3.
What are the key properties of 1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine?
1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 298.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 82191850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).