N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H22N4O2 — CID 70732753

IUPACN-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCO[C@H]1COC[C@@H]1Nc1cc(-c2ccccc2)nc2cc(C)nn12
InChIInChI=1S/C19H22N4O2/c1-3-25-17-12-24-11-16(17)21-19-10-15(14-7-5-4-6-8-14)20-18-9-13(2)22-23(18)19/h4-10,16-17,21H,3,11-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyPSYQOHCIJLUIFL-IRXDYDNUSA-N
MW338.41 g/mol
LogP2.92
Rot. Bonds5

About N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70732753) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70732753
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCO[C@H]1COC[C@@H]1Nc1cc(-c2ccccc2)nc2cc(C)nn12
InChIInChI=1S/C19H22N4O2/c1-3-25-17-12-24-11-16(17)21-19-10-15(14-7-5-4-6-8-14)20-18-9-13(2)22-23(18)19/h4-10,16-17,21H,3,11-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyPSYQOHCIJLUIFL-IRXDYDNUSA-N
XLogP2.92
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56883490
N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 133126009
(3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol
CID 70709400
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70786665
1-[2-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one
CID 70766799
1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
CID 56884537
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
(4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95871433
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70707398
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95874316
2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56915913
ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
CID 143251437

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70732753) is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCO[C@H]1COC[C@@H]1Nc1cc(-c2ccccc2)nc2cc(C)nn12.
What is the InChIKey of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PSYQOHCIJLUIFL-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-25-17-12-24-11-16(17)21-19-10-15(14-7-5-4-6-8-14)20-18-9-13(2)22-23(18)19/h4-10,16-17,21H,3,11-12H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 338.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70732753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).