4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine

C18H26N6O — CID 125192415

IUPAC4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine
SMILESCc1cnc(N2CC[C@@H](N3CCOCC3)[C@H]2Cc2cnn(C)c2)nc1
InChIInChI=1S/C18H26N6O/c1-14-10-19-18(20-11-14)24-4-3-16(23-5-7-25-8-6-23)17(24)9-15-12-21-22(2)13-15/h10-13,16-17H,3-9H2,1-2H3/t16-,17-/m1/s1
InChIKeyOOXMKULCZPCFJK-IAGOWNOFSA-N
MW342.45 g/mol
LogP1.04
Rot. Bonds4

About 4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine

4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine (PubChem CID 125192415) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine
PubChem CID125192415
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine
SMILESCc1cnc(N2CC[C@@H](N3CCOCC3)[C@H]2Cc2cnn(C)c2)nc1
InChIInChI=1S/C18H26N6O/c1-14-10-19-18(20-11-14)24-4-3-16(23-5-7-25-8-6-23)17(24)9-15-12-21-22(2)13-15/h10-13,16-17H,3-9H2,1-2H3/t16-,17-/m1/s1
InChIKeyOOXMKULCZPCFJK-IAGOWNOFSA-N
XLogP1.04
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine with MolForge

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

Launch Full Analysis

Related Compounds

5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 97470261
4-[(2S,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine
CID 97471022
N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 50952043
(2S,3R)-1-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97470964
4-[(2R,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine
CID 125185191
4-[(2S,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine;2,2,2-trifluoroacetic acid
CID 127022555
5-fluoro-2-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 124815893
4-[(2R,3S)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine
CID 125185192
5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-2-amine
CID 128997312
4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine;2,2,2-trifluoroacetic acid
CID 155840545
(2S,3R)-1-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 155841962
(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 155853330

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine (CID 125192415) is 4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine is Cc1cnc(N2CC[C@@H](N3CCOCC3)[C@H]2Cc2cnn(C)c2)nc1.
What is the InChIKey of 4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine?
The InChIKey is OOXMKULCZPCFJK-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-10-19-18(20-11-14)24-4-3-16(23-5-7-25-8-6-23)17(24)9-15-12-21-22(2)13-15/h10-13,16-17H,3-9H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of 4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine?
4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine has a molecular weight of 342.45 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 125192415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).