1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine

C21H23N5 — CID 154771708

IUPAC1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
SMILESCN1CCC(NCc2ccnc(-c3ccccn3)n2)C1c1ccccc1
InChIInChI=1S/C21H23N5/c1-26-14-11-18(20(26)16-7-3-2-4-8-16)24-15-17-10-13-23-21(25-17)19-9-5-6-12-22-19/h2-10,12-13,18,20,24H,11,14-15H2,1H3
InChIKeyKUEQWCZRNLESRS-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.07
Rot. Bonds5

About 1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine

1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 154771708) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
PubChem CID154771708
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
SMILESCN1CCC(NCc2ccnc(-c3ccccn3)n2)C1c1ccccc1
InChIInChI=1S/C21H23N5/c1-26-14-11-18(20(26)16-7-3-2-4-8-16)24-15-17-10-13-23-21(25-17)19-9-5-6-12-22-19/h2-10,12-13,18,20,24H,11,14-15H2,1H3
InChIKeyKUEQWCZRNLESRS-UHFFFAOYSA-N
XLogP3.07
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine (CID 154771708) is 1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine is CN1CCC(NCc2ccnc(-c3ccccn3)n2)C1c1ccccc1.
What is the InChIKey of 1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is KUEQWCZRNLESRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-26-14-11-18(20(26)16-7-3-2-4-8-16)24-15-17-10-13-23-21(25-17)19-9-5-6-12-22-19/h2-10,12-13,18,20,24H,11,14-15H2,1H3.
What are the key properties of 1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine?
1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 345.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 154771708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).