N-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine

C20H23N5O — CID 14347180

IUPACN-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCN(C)CCCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C20H23N5O/c1-25(2)13-4-14-26-18-8-6-17(7-9-18)23-20-22-12-10-19(24-20)16-5-3-11-21-15-16/h3,5-12,15H,4,13-14H2,1-2H3,(H,22,23,24)
InChIKeyBAKUFMGDFQTFRS-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.61
Rot. Bonds8

About N-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine

N-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 14347180) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID14347180
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCN(C)CCCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C20H23N5O/c1-25(2)13-4-14-26-18-8-6-17(7-9-18)23-20-22-12-10-19(24-20)16-5-3-11-21-15-16/h3,5-12,15H,4,13-14H2,1-2H3,(H,22,23,24)
InChIKeyBAKUFMGDFQTFRS-UHFFFAOYSA-N
XLogP3.61
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 14347180) is N-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine is CN(C)CCCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is BAKUFMGDFQTFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-25(2)13-4-14-26-18-8-6-17(7-9-18)23-20-22-12-10-19(24-20)16-5-3-11-21-15-16/h3,5-12,15H,4,13-14H2,1-2H3,(H,22,23,24).
What are the key properties of N-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 349.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 14347180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).