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

C21H25N5O — CID 15653020

IUPACN-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCCN(CC)CCOc1ccccc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C21H25N5O/c1-3-26(4-2)14-15-27-20-10-6-5-9-19(20)25-21-23-13-11-18(24-21)17-8-7-12-22-16-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,23,24,25)
InChIKeyVBTYEIVGQOTDTF-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.00
Rot. Bonds9

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

N-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 15653020) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID15653020
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCCN(CC)CCOc1ccccc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C21H25N5O/c1-3-26(4-2)14-15-27-20-10-6-5-9-19(20)25-21-23-13-11-18(24-21)17-8-7-12-22-16-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,23,24,25)
InChIKeyVBTYEIVGQOTDTF-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-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 15653020) is N-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine is CCN(CC)CCOc1ccccc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is VBTYEIVGQOTDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-26(4-2)14-15-27-20-10-6-5-9-19(20)25-21-23-13-11-18(24-21)17-8-7-12-22-16-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,23,24,25).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[2-[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-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 15653020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).