2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

C16H22N6O2 — CID 3233685

IUPAC2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCN1CCN(c2ncc3ncc(=O)n(C[C@H]4CCCO4)c3n2)CC1
InChIInChI=1S/C16H22N6O2/c1-20-4-6-21(7-5-20)16-18-9-13-15(19-16)22(14(23)10-17-13)11-12-3-2-8-24-12/h9-10,12H,2-8,11H2,1H3/t12-/m1/s1
InChIKeyBDTBUWNFRYAOQH-GFCCVEGCSA-N
MW330.39 g/mol
LogP0.12
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (PubChem CID 3233685) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
PubChem CID3233685
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCN1CCN(c2ncc3ncc(=O)n(C[C@H]4CCCO4)c3n2)CC1
InChIInChI=1S/C16H22N6O2/c1-20-4-6-21(7-5-20)16-18-9-13-15(19-16)22(14(23)10-17-13)11-12-3-2-8-24-12/h9-10,12H,2-8,11H2,1H3/t12-/m1/s1
InChIKeyBDTBUWNFRYAOQH-GFCCVEGCSA-N
XLogP0.12
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one 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

2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233097
8-Cyclopropyl-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3233384
8-(2-Methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3234388
8-(2-Methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3235519
3-(6-Methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile
CID 3232633
2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233024
2-(Dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one
CID 3233105
8-(2-Methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3233267
8-(2-Methoxyethyl)-2-morpholin-4-ylpteridin-7-one
CID 3233565
2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233652
2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233717
6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233955

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (CID 3233685) is 2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is CN1CCN(c2ncc3ncc(=O)n(C[C@H]4CCCO4)c3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The InChIKey is BDTBUWNFRYAOQH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20-4-6-21(7-5-20)16-18-9-13-15(19-16)22(14(23)10-17-13)11-12-3-2-8-24-12/h9-10,12H,2-8,11H2,1H3/t12-/m1/s1.
What are the key properties of 2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one has a molecular weight of 330.39 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is sourced from PubChem (CID 3233685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).