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

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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).