4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide

C15H15N5O2 — CID 118720255

IUPAC4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2c[nH]c3ncnc(NCCO)c23)cc1
InChIInChI=1S/C15H15N5O2/c16-13(22)10-3-1-9(2-4-10)11-7-18-15-12(11)14(17-5-6-21)19-8-20-15/h1-4,7-8,21H,5-6H2,(H2,16,22)(H2,17,18,19,20)
InChIKeyPSBYBDMPXANZIE-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.13
Rot. Bonds5

About 4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide

4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide (PubChem CID 118720255) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
PubChem CID118720255
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2c[nH]c3ncnc(NCCO)c23)cc1
InChIInChI=1S/C15H15N5O2/c16-13(22)10-3-1-9(2-4-10)11-7-18-15-12(11)14(17-5-6-21)19-8-20-15/h1-4,7-8,21H,5-6H2,(H2,16,22)(H2,17,18,19,20)
InChIKeyPSBYBDMPXANZIE-UHFFFAOYSA-N
XLogP1.13
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Y-33075
CID 9810884
Y-39983
CID 11507964
PF-Akt400
CID 25061501
3-[[(cyanoamino)-[(2S)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methylidene]amino]-N-(2-hydroxyethyl)benzamide
CID 44543082
4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
CID 74221357
(S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)methyl)-2,4-difluorobenzamide
CID 46838190
4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
CID 69183822
Btk-IN-15
CID 164887528
4-cyclopropyl-N-[[2-fluoro-4-[5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]benzamide
CID 168281655
n-[4-[2-(2-Amino-4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoyl]glutamic acid
CID 5288461
N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide
CID 155289261
[(3S)-3-[[(2,4-difluorobenzoyl)amino]methyl]-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]azanium
CID 72200212

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide (CID 118720255) is 4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide is NC(=O)c1ccc(-c2c[nH]c3ncnc(NCCO)c23)cc1.
What is the InChIKey of 4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide?
The InChIKey is PSBYBDMPXANZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-13(22)10-3-1-9(2-4-10)11-7-18-15-12(11)14(17-5-6-21)19-8-20-15/h1-4,7-8,21H,5-6H2,(H2,16,22)(H2,17,18,19,20).
What are the key properties of 4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide?
4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide has a molecular weight of 297.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 118720255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).