4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine

C17H25N5O3 — CID 97470715

IUPAC4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCOCCO[C@H]1CCN(c2cc(OC)ncn2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C17H25N5O3/c1-21-11-13(10-20-21)8-14-15(25-7-6-23-2)4-5-22(14)16-9-17(24-3)19-12-18-16/h9-12,14-15H,4-8H2,1-3H3/t14-,15-/m0/s1
InChIKeyXOFFUCVVGSJMGP-GJZGRUSLSA-N
MW347.42 g/mol
LogP1.07
Rot. Bonds8

About 4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine

4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine (PubChem CID 97470715) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
PubChem CID97470715
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCOCCO[C@H]1CCN(c2cc(OC)ncn2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C17H25N5O3/c1-21-11-13(10-20-21)8-14-15(25-7-6-23-2)4-5-22(14)16-9-17(24-3)19-12-18-16/h9-12,14-15H,4-8H2,1-3H3/t14-,15-/m0/s1
InChIKeyXOFFUCVVGSJMGP-GJZGRUSLSA-N
XLogP1.07
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine 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 4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine (CID 97470715) is 4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine is COCCO[C@H]1CCN(c2cc(OC)ncn2)[C@H]1Cc1cnn(C)c1.
What is the InChIKey of 4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The InChIKey is XOFFUCVVGSJMGP-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-21-11-13(10-20-21)8-14-15(25-7-6-23-2)4-5-22(14)16-9-17(24-3)19-12-18-16/h9-12,14-15H,4-8H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of 4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine has a molecular weight of 347.42 g/mol, XLogP of 1.07, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 97470715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).