6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol

C19H21FN4O — CID 155545665

IUPAC6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCC1CCN(c2ncc3c(O)n(Cc4cccc(F)c4)cc3n2)CC1
InChIInChI=1S/C19H21FN4O/c1-13-5-7-23(8-6-13)19-21-10-16-17(22-19)12-24(18(16)25)11-14-3-2-4-15(20)9-14/h2-4,9-10,12-13,25H,5-8,11H2,1H3
InChIKeyKTDQRBAMRZQRJI-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.56
Rot. Bonds3

About 6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol

6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 155545665) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID155545665
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCC1CCN(c2ncc3c(O)n(Cc4cccc(F)c4)cc3n2)CC1
InChIInChI=1S/C19H21FN4O/c1-13-5-7-23(8-6-13)19-21-10-16-17(22-19)12-24(18(16)25)11-14-3-2-4-15(20)9-14/h2-4,9-10,12-13,25H,5-8,11H2,1H3
InChIKeyKTDQRBAMRZQRJI-UHFFFAOYSA-N
XLogP3.56
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol
CID 155545635
1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea
CID 122299621
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide
CID 46951892
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 23794200
12-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 46962394
6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46346067
1-[6-(3-fluorophenyl)-5,7-dioxo-8H-pyrimido[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 53333482
1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine
CID 146164632
N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560946
3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 102567348
N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960926
5-[(3-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride
CID 172704463

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol (CID 155545665) is 6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol is CC1CCN(c2ncc3c(O)n(Cc4cccc(F)c4)cc3n2)CC1.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is KTDQRBAMRZQRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13-5-7-23(8-6-13)19-21-10-16-17(22-19)12-24(18(16)25)11-14-3-2-4-15(20)9-14/h2-4,9-10,12-13,25H,5-8,11H2,1H3.
What are the key properties of 6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol?
6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 340.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 155545665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).