2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol

C16H16FN3O — CID 137047511

IUPAC2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCc1cccc(F)c1-c1nc(C(C)C)c2c(O)[nH]cc2n1
InChIInChI=1S/C16H16FN3O/c1-8(2)14-13-11(7-18-16(13)21)19-15(20-14)12-9(3)5-4-6-10(12)17/h4-8,18,21H,1-3H3
InChIKeyFMBLKGGWKTXAJG-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.90
Rot. Bonds2

About 2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol

2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 137047511) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID137047511
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCc1cccc(F)c1-c1nc(C(C)C)c2c(O)[nH]cc2n1
InChIInChI=1S/C16H16FN3O/c1-8(2)14-13-11(7-18-16(13)21)19-15(20-14)12-9(3)5-4-6-10(12)17/h4-8,18,21H,1-3H3
InChIKeyFMBLKGGWKTXAJG-UHFFFAOYSA-N
XLogP3.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol (CID 137047511) is 2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol is Cc1cccc(F)c1-c1nc(C(C)C)c2c(O)[nH]cc2n1.
What is the InChIKey of 2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is FMBLKGGWKTXAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-8(2)14-13-11(7-18-16(13)21)19-15(20-14)12-9(3)5-4-6-10(12)17/h4-8,18,21H,1-3H3.
What are the key properties of 2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 285.32 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 137047511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).