N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C27H24N4O2 — CID 46943779

IUPACN-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(COc2cccc(-c3cc4nc(NCCOc5ccccc5)ccn4n3)c2)cc1
InChIInChI=1S/C27H24N4O2/c1-3-8-21(9-4-1)20-33-24-13-7-10-22(18-24)25-19-27-29-26(14-16-31(27)30-25)28-15-17-32-23-11-5-2-6-12-23/h1-14,16,18-19H,15,17,20H2,(H,28,29)
InChIKeyXXXJXMOFKYZPSR-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.47
Rot. Bonds9

About N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 46943779) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID46943779
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(COc2cccc(-c3cc4nc(NCCOc5ccccc5)ccn4n3)c2)cc1
InChIInChI=1S/C27H24N4O2/c1-3-8-21(9-4-1)20-33-24-13-7-10-22(18-24)25-19-27-29-26(14-16-31(27)30-25)28-15-17-32-23-11-5-2-6-12-23/h1-14,16,18-19H,15,17,20H2,(H,28,29)
InChIKeyXXXJXMOFKYZPSR-UHFFFAOYSA-N
XLogP5.47
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.47
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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Related Compounds

N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 46942740
N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801279
N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 20952842
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline
CID 3042687
5-(3-phenylmethoxyphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 91429348
[2-(3-phenylmethoxyphenyl)-4-pyridinyl]methanamine
CID 171365592
[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 4984676
3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide
CID 121088744
2-(furan-2-yl)-6-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 69455635
6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112869597
N-benzyl-3-phenylmethoxyaniline
CID 54801332

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 46943779) is N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is c1ccc(COc2cccc(-c3cc4nc(NCCOc5ccccc5)ccn4n3)c2)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is XXXJXMOFKYZPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-3-8-21(9-4-1)20-33-24-13-7-10-22(18-24)25-19-27-29-26(14-16-31(27)30-25)28-15-17-32-23-11-5-2-6-12-23/h1-14,16,18-19H,15,17,20H2,(H,28,29).
What are the key properties of N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 436.52 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 46943779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).