(2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine

C17H24N4O — CID 136905119

IUPAC(2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine
SMILESCO[C@H](CNC[C@H]1CNc2cc(C)nn2C1)c1ccccc1
InChIInChI=1S/C17H24N4O/c1-13-8-17-19-10-14(12-21(17)20-13)9-18-11-16(22-2)15-6-4-3-5-7-15/h3-8,14,16,18-19H,9-12H2,1-2H3/t14-,16+/m0/s1
InChIKeySHHSCVDUDCPEIY-GOEBONIOSA-N
MW300.41 g/mol
LogP2.21
Rot. Bonds6

About (2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine

(2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine (PubChem CID 136905119) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine
PubChem CID136905119
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine
SMILESCO[C@H](CNC[C@H]1CNc2cc(C)nn2C1)c1ccccc1
InChIInChI=1S/C17H24N4O/c1-13-8-17-19-10-14(12-21(17)20-13)9-18-11-16(22-2)15-6-4-3-5-7-15/h3-8,14,16,18-19H,9-12H2,1-2H3/t14-,16+/m0/s1
InChIKeySHHSCVDUDCPEIY-GOEBONIOSA-N
XLogP2.21
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine?
The IUPAC name of (2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine (CID 136905119) is (2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine.
What is the SMILES notation for (2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine?
The canonical SMILES for (2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine is CO[C@H](CNC[C@H]1CNc2cc(C)nn2C1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine?
The InChIKey is SHHSCVDUDCPEIY-GOEBONIOSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-8-17-19-10-14(12-21(17)20-13)9-18-11-16(22-2)15-6-4-3-5-7-15/h3-8,14,16,18-19H,9-12H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine?
(2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine has a molecular weight of 300.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine is sourced from PubChem (CID 136905119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).