N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C20H25N5O — CID 95729116

IUPACN-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@H](CN(C)c1cc(-c2ccccc2)nc2ccnn12)N1CCOCC1
InChIInChI=1S/C20H25N5O/c1-16(24-10-12-26-13-11-24)15-23(2)20-14-18(17-6-4-3-5-7-17)22-19-8-9-21-25(19)20/h3-9,14,16H,10-13,15H2,1-2H3/t16-/m1/s1
InChIKeyMWYHJWLKGNSVCY-MRXNPFEDSA-N
MW351.45 g/mol
LogP2.55
Rot. Bonds5

About N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95729116) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95729116
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@H](CN(C)c1cc(-c2ccccc2)nc2ccnn12)N1CCOCC1
InChIInChI=1S/C20H25N5O/c1-16(24-10-12-26-13-11-24)15-23(2)20-14-18(17-6-4-3-5-7-17)22-19-8-9-21-25(19)20/h3-9,14,16H,10-13,15H2,1-2H3/t16-/m1/s1
InChIKeyMWYHJWLKGNSVCY-MRXNPFEDSA-N
XLogP2.55
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 95729116) is N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is C[C@H](CN(C)c1cc(-c2ccccc2)nc2ccnn12)N1CCOCC1.
What is the InChIKey of N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MWYHJWLKGNSVCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O/c1-16(24-10-12-26-13-11-24)15-23(2)20-14-18(17-6-4-3-5-7-17)22-19-8-9-21-25(19)20/h3-9,14,16H,10-13,15H2,1-2H3/t16-/m1/s1.
What are the key properties of N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 351.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95729116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).