1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine

C19H26N4O — CID 137225330

IUPAC1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
SMILESc1ccc([C@@H]2OCCC[C@H]2CNC[C@H]2CNc3ccnn3C2)cc1
InChIInChI=1S/C19H26N4O/c1-2-5-16(6-3-1)19-17(7-4-10-24-19)13-20-11-15-12-21-18-8-9-22-23(18)14-15/h1-3,5-6,8-9,15,17,19-21H,4,7,10-14H2/t15-,17-,19-/m0/s1
InChIKeyNLVLERBSIUTMJT-IEZWGBDMSA-N
MW326.44 g/mol
LogP2.68
Rot. Bonds5

About 1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine

1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine (PubChem CID 137225330) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
PubChem CID137225330
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
SMILESc1ccc([C@@H]2OCCC[C@H]2CNC[C@H]2CNc3ccnn3C2)cc1
InChIInChI=1S/C19H26N4O/c1-2-5-16(6-3-1)19-17(7-4-10-24-19)13-20-11-15-12-21-18-8-9-22-23(18)14-15/h1-3,5-6,8-9,15,17,19-21H,4,7,10-14H2/t15-,17-,19-/m0/s1
InChIKeyNLVLERBSIUTMJT-IEZWGBDMSA-N
XLogP2.68
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine 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 1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine?
The IUPAC name of 1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine (CID 137225330) is 1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine.
What is the SMILES notation for 1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine?
The canonical SMILES for 1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine is c1ccc([C@@H]2OCCC[C@H]2CNC[C@H]2CNc3ccnn3C2)cc1.
What is the InChIKey of 1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine?
The InChIKey is NLVLERBSIUTMJT-IEZWGBDMSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-5-16(6-3-1)19-17(7-4-10-24-19)13-20-11-15-12-21-18-8-9-22-23(18)14-15/h1-3,5-6,8-9,15,17,19-21H,4,7,10-14H2/t15-,17-,19-/m0/s1.
What are the key properties of 1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine?
1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine has a molecular weight of 326.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine is sourced from PubChem (CID 137225330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).