[3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol

C17H24N8O2 — CID 138805941

IUPAC[3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol
SMILESNc1ncc(-c2cc(NC3(CO)CCNC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H24N8O2/c18-15-20-8-12(9-21-15)13-7-14(24-17(11-26)1-2-19-10-17)23-16(22-13)25-3-5-27-6-4-25/h7-9,19,26H,1-6,10-11H2,(H2,18,20,21)(H,22,23,24)
InChIKeyYUWHHRRHHSPGPB-UHFFFAOYSA-N
MW372.43 g/mol
LogP-0.51
Rot. Bonds5

About [3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol

[3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol (PubChem CID 138805941) has the molecular formula C17H24N8O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is [3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol
PubChem CID138805941
Molecular FormulaC17H24N8O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name[3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol
SMILESNc1ncc(-c2cc(NC3(CO)CCNC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H24N8O2/c18-15-20-8-12(9-21-15)13-7-14(24-17(11-26)1-2-19-10-17)23-16(22-13)25-3-5-27-6-4-25/h7-9,19,26H,1-6,10-11H2,(H2,18,20,21)(H,22,23,24)
InChIKeyYUWHHRRHHSPGPB-UHFFFAOYSA-N
XLogP-0.51
TPSA134.34 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze [3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]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 [3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol (CID 138805941) is [3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol is Nc1ncc(-c2cc(NC3(CO)CCNC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of [3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol?
The InChIKey is YUWHHRRHHSPGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O2/c18-15-20-8-12(9-21-15)13-7-14(24-17(11-26)1-2-19-10-17)23-16(22-13)25-3-5-27-6-4-25/h7-9,19,26H,1-6,10-11H2,(H2,18,20,21)(H,22,23,24).
What are the key properties of [3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol?
[3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol has a molecular weight of 372.43 g/mol, XLogP of -0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 138805941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).