[1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol

C13H19ClN4O2 — CID 170307917

IUPAC[1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2nc(Cl)cc(N3CCOCC3)n2)C1
InChIInChI=1S/C13H19ClN4O2/c14-11-7-12(17-3-5-20-6-4-17)16-13(15-11)18-2-1-10(8-18)9-19/h7,10,19H,1-6,8-9H2
InChIKeyDWSFZIUWDJANHU-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.79
Rot. Bonds3

About [1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol

[1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 170307917) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is [1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
PubChem CID170307917
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name[1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2nc(Cl)cc(N3CCOCC3)n2)C1
InChIInChI=1S/C13H19ClN4O2/c14-11-7-12(17-3-5-20-6-4-17)16-13(15-11)18-2-1-10(8-18)9-19/h7,10,19H,1-6,8-9H2
InChIKeyDWSFZIUWDJANHU-UHFFFAOYSA-N
XLogP0.79
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol 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-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol (CID 170307917) is [1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol is OCC1CCN(c2nc(Cl)cc(N3CCOCC3)n2)C1.
What is the InChIKey of [1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is DWSFZIUWDJANHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c14-11-7-12(17-3-5-20-6-4-17)16-13(15-11)18-2-1-10(8-18)9-19/h7,10,19H,1-6,8-9H2.
What are the key properties of [1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol?
[1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 298.77 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 170307917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).