[4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol

C15H18Cl2N6O2 — CID 87509800

IUPAC[4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol
SMILESOCC1COCCN1c1nc2nc(Cl)nc(N3CCCC3)c2nc1Cl
InChIInChI=1S/C15H18Cl2N6O2/c16-11-14(23-5-6-25-8-9(23)7-24)19-12-10(18-11)13(21-15(17)20-12)22-3-1-2-4-22/h9,24H,1-8H2
InChIKeyAVYATAXXYIRFHQ-UHFFFAOYSA-N
MW385.26 g/mol
LogP1.52
Rot. Bonds3

About [4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol

[4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol (PubChem CID 87509800) has the molecular formula C15H18Cl2N6O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is [4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol
PubChem CID87509800
Molecular FormulaC15H18Cl2N6O2
Molecular Weight385.26 g/mol
Exact Mass384.09
IUPAC Name[4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol
SMILESOCC1COCCN1c1nc2nc(Cl)nc(N3CCCC3)c2nc1Cl
InChIInChI=1S/C15H18Cl2N6O2/c16-11-14(23-5-6-25-8-9(23)7-24)19-12-10(18-11)13(21-15(17)20-12)22-3-1-2-4-22/h9,24H,1-8H2
InChIKeyAVYATAXXYIRFHQ-UHFFFAOYSA-N
XLogP1.52
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-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 [4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol?
The IUPAC name of [4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol (CID 87509800) is [4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol.
What is the SMILES notation for [4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol?
The canonical SMILES for [4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol is OCC1COCCN1c1nc2nc(Cl)nc(N3CCCC3)c2nc1Cl.
What is the InChIKey of [4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol?
The InChIKey is AVYATAXXYIRFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N6O2/c16-11-14(23-5-6-25-8-9(23)7-24)19-12-10(18-11)13(21-15(17)20-12)22-3-1-2-4-22/h9,24H,1-8H2.
What are the key properties of [4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol?
[4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol has a molecular weight of 385.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol is sourced from PubChem (CID 87509800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).