4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol

C23H33N7O2 — CID 130370644

IUPAC4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol
SMILESNc1nc(NCC2CCCO2)nc2c1NC(O)CN2Cc1cccc(CN2CCCC2)c1
InChIInChI=1S/C23H33N7O2/c24-21-20-22(28-23(27-21)25-12-18-7-4-10-32-18)30(15-19(31)26-20)14-17-6-3-5-16(11-17)13-29-8-1-2-9-29/h3,5-6,11,18-19,26,31H,1-2,4,7-10,12-15H2,(H3,24,25,27,28)
InChIKeyJVFYQELTMHZGFZ-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.00
Rot. Bonds7

About 4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol

4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol (PubChem CID 130370644) has the molecular formula C23H33N7O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol.

Molecular Properties

Compound Name4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol
PubChem CID130370644
Molecular FormulaC23H33N7O2
Molecular Weight439.56 g/mol
Exact Mass439.27
IUPAC Name4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol
SMILESNc1nc(NCC2CCCO2)nc2c1NC(O)CN2Cc1cccc(CN2CCCC2)c1
InChIInChI=1S/C23H33N7O2/c24-21-20-22(28-23(27-21)25-12-18-7-4-10-32-18)30(15-19(31)26-20)14-17-6-3-5-16(11-17)13-29-8-1-2-9-29/h3,5-6,11,18-19,26,31H,1-2,4,7-10,12-15H2,(H3,24,25,27,28)
InChIKeyJVFYQELTMHZGFZ-UHFFFAOYSA-N
XLogP2.00
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol 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

4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 46240739
4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;ethyl 2-[[6-amino-5-nitro-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]amino]acetate;methane
CID 158859748
6-(4-benzylpiperazin-1-yl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 3494968
4-amino-2-(2-methoxyethylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 91043801
2-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137795
[4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 66507581
2-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111138599
4-amino-2-(2,2-dimethylpropylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 149108631
6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 66507388
CID 158535207
CID 158535207
4-[(3-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
CID 133185630
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol?
The IUPAC name of 4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol (CID 130370644) is 4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol.
What is the SMILES notation for 4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol?
The canonical SMILES for 4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol is Nc1nc(NCC2CCCO2)nc2c1NC(O)CN2Cc1cccc(CN2CCCC2)c1.
What is the InChIKey of 4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol?
The InChIKey is JVFYQELTMHZGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O2/c24-21-20-22(28-23(27-21)25-12-18-7-4-10-32-18)30(15-19(31)26-20)14-17-6-3-5-16(11-17)13-29-8-1-2-9-29/h3,5-6,11,18-19,26,31H,1-2,4,7-10,12-15H2,(H3,24,25,27,28).
What are the key properties of 4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol?
4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol has a molecular weight of 439.56 g/mol, XLogP of 2.00, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pteridin-6-ol is sourced from PubChem (CID 130370644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).