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

C19H27N5O — CID 119127232

IUPAC6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCCOc1cccc(CNCC2CCCN2c2cc(NC)ncn2)c1
InChIInChI=1S/C19H27N5O/c1-3-25-17-8-4-6-15(10-17)12-21-13-16-7-5-9-24(16)19-11-18(20-2)22-14-23-19/h4,6,8,10-11,14,16,21H,3,5,7,9,12-13H2,1-2H3,(H,20,22,23)
InChIKeyIJTGLOKPIWWBDB-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.68
Rot. Bonds8

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

6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 119127232) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID119127232
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCCOc1cccc(CNCC2CCCN2c2cc(NC)ncn2)c1
InChIInChI=1S/C19H27N5O/c1-3-25-17-8-4-6-15(10-17)12-21-13-16-7-5-9-24(16)19-11-18(20-2)22-14-23-19/h4,6,8,10-11,14,16,21H,3,5,7,9,12-13H2,1-2H3,(H,20,22,23)
InChIKeyIJTGLOKPIWWBDB-UHFFFAOYSA-N
XLogP2.68
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2S)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554031
N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158
6-[(2S)-2-[[(2,3-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554025
N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide
CID 119126315
6-[2-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127288
N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124046
N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 129377193
6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127231
6-[(2R)-2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 95764401
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (CID 119127232) is 6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is CCOc1cccc(CNCC2CCCN2c2cc(NC)ncn2)c1.
What is the InChIKey of 6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is IJTGLOKPIWWBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-25-17-8-4-6-15(10-17)12-21-13-16-7-5-9-24(16)19-11-18(20-2)22-14-23-19/h4,6,8,10-11,14,16,21H,3,5,7,9,12-13H2,1-2H3,(H,20,22,23).
What are the key properties of 6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 341.46 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 119127232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).