N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine

C25H28N6O — CID 10365285

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine
SMILESCCc1ccc(-c2[nH]ncc2-c2ccnc(Nc3ccc(OCCN(C)C)cc3)n2)cc1
InChIInChI=1S/C25H28N6O/c1-4-18-5-7-19(8-6-18)24-22(17-27-30-24)23-13-14-26-25(29-23)28-20-9-11-21(12-10-20)32-16-15-31(2)3/h5-14,17H,4,15-16H2,1-3H3,(H,27,30)(H,26,28,29)
InChIKeyQXNJATIJSVWVHV-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.78
Rot. Bonds9

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine

N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 10365285) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine
PubChem CID10365285
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine
SMILESCCc1ccc(-c2[nH]ncc2-c2ccnc(Nc3ccc(OCCN(C)C)cc3)n2)cc1
InChIInChI=1S/C25H28N6O/c1-4-18-5-7-19(8-6-18)24-22(17-27-30-24)23-13-14-26-25(29-23)28-20-9-11-21(12-10-20)32-16-15-31(2)3/h5-14,17H,4,15-16H2,1-3H3,(H,27,30)(H,26,28,29)
InChIKeyQXNJATIJSVWVHV-UHFFFAOYSA-N
XLogP4.78
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine (CID 10365285) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine is CCc1ccc(-c2[nH]ncc2-c2ccnc(Nc3ccc(OCCN(C)C)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is QXNJATIJSVWVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-4-18-5-7-19(8-6-18)24-22(17-27-30-24)23-13-14-26-25(29-23)28-20-9-11-21(12-10-20)32-16-15-31(2)3/h5-14,17H,4,15-16H2,1-3H3,(H,27,30)(H,26,28,29).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 428.54 g/mol, XLogP of 4.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 10365285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).