[3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol

C15H16N4O — CID 72706842

IUPAC[3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
SMILESCN(C)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
InChIInChI=1S/C15H16N4O/c1-19(2)15-13-12(7-16-14(13)17-9-18-15)11-5-3-4-10(6-11)8-20/h3-7,9,20H,8H2,1-2H3,(H,16,17,18)
InChIKeyFALGNGIGJAIJGO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.18
Rot. Bonds3

About [3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol

[3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol (PubChem CID 72706842) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is [3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
PubChem CID72706842
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name[3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
SMILESCN(C)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
InChIInChI=1S/C15H16N4O/c1-19(2)15-13-12(7-16-14(13)17-9-18-15)11-5-3-4-10(6-11)8-20/h3-7,9,20H,8H2,1-2H3,(H,16,17,18)
InChIKeyFALGNGIGJAIJGO-UHFFFAOYSA-N
XLogP2.18
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol?
The IUPAC name of [3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol (CID 72706842) is [3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol.
What is the SMILES notation for [3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol?
The canonical SMILES for [3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol is CN(C)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12.
What is the InChIKey of [3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol?
The InChIKey is FALGNGIGJAIJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19(2)15-13-12(7-16-14(13)17-9-18-15)11-5-3-4-10(6-11)8-20/h3-7,9,20H,8H2,1-2H3,(H,16,17,18).
What are the key properties of [3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol?
[3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol has a molecular weight of 268.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol is sourced from PubChem (CID 72706842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).