N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C27H24N4O2 — CID 46942740

IUPACN-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(COc2ccc(-c3cc4nc(NCCOc5ccccc5)ccn4n3)cc2)cc1
InChIInChI=1S/C27H24N4O2/c1-3-7-21(8-4-1)20-33-24-13-11-22(12-14-24)25-19-27-29-26(15-17-31(27)30-25)28-16-18-32-23-9-5-2-6-10-23/h1-15,17,19H,16,18,20H2,(H,28,29)
InChIKeyLRDTUTXAMYFNJC-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.47
Rot. Bonds9

About N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 46942740) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID46942740
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(COc2ccc(-c3cc4nc(NCCOc5ccccc5)ccn4n3)cc2)cc1
InChIInChI=1S/C27H24N4O2/c1-3-7-21(8-4-1)20-33-24-13-11-22(12-14-24)25-19-27-29-26(15-17-31(27)30-25)28-16-18-32-23-9-5-2-6-10-23/h1-15,17,19H,16,18,20H2,(H,28,29)
InChIKeyLRDTUTXAMYFNJC-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-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 46943779
2-phenyl-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155900200
6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112869597
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
6-ethyl-2-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 65417794
N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801279
1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one
CID 134805271
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 46942740) is N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is c1ccc(COc2ccc(-c3cc4nc(NCCOc5ccccc5)ccn4n3)cc2)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is LRDTUTXAMYFNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-3-7-21(8-4-1)20-33-24-13-11-22(12-14-24)25-19-27-29-26(15-17-31(27)30-25)28-16-18-32-23-9-5-2-6-10-23/h1-15,17,19H,16,18,20H2,(H,28,29).
What are the key properties of N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(2-phenoxyethyl)-2-(4-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-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 46942740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).