N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine

C21H25N5O — CID 14347164

IUPACN-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCCN(CC)CCOc1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C21H25N5O/c1-3-26(4-2)13-14-27-19-9-5-8-18(15-19)24-21-23-12-10-20(25-21)17-7-6-11-22-16-17/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,23,24,25)
InChIKeyJULPLOWTMLDKMG-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.00
Rot. Bonds9

About N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine

N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 14347164) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID14347164
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCCN(CC)CCOc1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C21H25N5O/c1-3-26(4-2)13-14-27-19-9-5-8-18(15-19)24-21-23-12-10-20(25-21)17-7-6-11-22-16-17/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,23,24,25)
InChIKeyJULPLOWTMLDKMG-UHFFFAOYSA-N
XLogP4.00
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 14347164) is N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine is CCN(CC)CCOc1cccc(Nc2nccc(-c3cccnc3)n2)c1.
What is the InChIKey of N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is JULPLOWTMLDKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-26(4-2)13-14-27-19-9-5-8-18(15-19)24-21-23-12-10-20(25-21)17-7-6-11-22-16-17/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,23,24,25).
What are the key properties of N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 14347164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).