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

C20H25N5O2 — CID 46885624

IUPAC[3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol
SMILESCN(C)Cc1c[nH]c2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc12
InChIInChI=1S/C20H25N5O2/c1-24(2)12-16-11-21-18-17(16)22-19(15-5-3-4-14(10-15)13-26)23-20(18)25-6-8-27-9-7-25/h3-5,10-11,21,26H,6-9,12-13H2,1-2H3
InChIKeyVXQJPJHEAPEQTG-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.02
Rot. Bonds5

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

[3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol (PubChem CID 46885624) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol
PubChem CID46885624
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol
SMILESCN(C)Cc1c[nH]c2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc12
InChIInChI=1S/C20H25N5O2/c1-24(2)12-16-11-21-18-17(16)22-19(15-5-3-4-14(10-15)13-26)23-20(18)25-6-8-27-9-7-25/h3-5,10-11,21,26H,6-9,12-13H2,1-2H3
InChIKeyVXQJPJHEAPEQTG-UHFFFAOYSA-N
XLogP2.02
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol?
The IUPAC name of [3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol (CID 46885624) is [3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol is CN(C)Cc1c[nH]c2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc12.
What is the InChIKey of [3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol?
The InChIKey is VXQJPJHEAPEQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-24(2)12-16-11-21-18-17(16)22-19(15-5-3-4-14(10-15)13-26)23-20(18)25-6-8-27-9-7-25/h3-5,10-11,21,26H,6-9,12-13H2,1-2H3.
What are the key properties of [3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol?
[3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol has a molecular weight of 367.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol is sourced from PubChem (CID 46885624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).