3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane

C20H26N6O2 — CID 143698276

IUPAC3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane
SMILESCC.NCC1CN(c2ncnc3[nH]cc(-c4cccc(C(N)=O)c4)c23)CCO1
InChIInChI=1S/C18H20N6O2.C2H6/c19-7-13-9-24(4-5-26-13)18-15-14(8-21-17(15)22-10-23-18)11-2-1-3-12(6-11)16(20)25;1-2/h1-3,6,8,10,13H,4-5,7,9,19H2,(H2,20,25)(H,21,22,23);1-2H3
InChIKeyLTTSJJSQQSSADT-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.91
Rot. Bonds4

About 3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane

3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane (PubChem CID 143698276) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane.

Molecular Properties

Compound Name3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane
PubChem CID143698276
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane
SMILESCC.NCC1CN(c2ncnc3[nH]cc(-c4cccc(C(N)=O)c4)c23)CCO1
InChIInChI=1S/C18H20N6O2.C2H6/c19-7-13-9-24(4-5-26-13)18-15-14(8-21-17(15)22-10-23-18)11-2-1-3-12(6-11)16(20)25;1-2/h1-3,6,8,10,13H,4-5,7,9,19H2,(H2,20,25)(H,21,22,23);1-2H3
InChIKeyLTTSJJSQQSSADT-UHFFFAOYSA-N
XLogP1.91
TPSA123.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide
CID 118438472
ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine
CID 143698271
ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
CID 143698287
2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide
CID 114399474
1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 166632963
1-piperidin-1-yl-2-[3-(4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propan-2-ol
CID 70207903
3-[4-(azetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 118725474
[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
CID 61337016
2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide
CID 114399438
4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine
CID 123159608
methyl 2-[4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate
CID 166237857
methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
CID 79770247

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane?
The IUPAC name of 3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane (CID 143698276) is 3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane.
What is the SMILES notation for 3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane?
The canonical SMILES for 3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane is CC.NCC1CN(c2ncnc3[nH]cc(-c4cccc(C(N)=O)c4)c23)CCO1.
What is the InChIKey of 3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane?
The InChIKey is LTTSJJSQQSSADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2.C2H6/c19-7-13-9-24(4-5-26-13)18-15-14(8-21-17(15)22-10-23-18)11-2-1-3-12(6-11)16(20)25;1-2/h1-3,6,8,10,13H,4-5,7,9,19H2,(H2,20,25)(H,21,22,23);1-2H3.
What are the key properties of 3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane?
3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane has a molecular weight of 382.47 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane is sourced from PubChem (CID 143698276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).