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

C13H21N5O — CID 143698287

IUPACethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
SMILESCC.NCC1CN(c2ncnc3[nH]ccc23)CCO1
InChIInChI=1S/C11H15N5O.C2H6/c12-5-8-6-16(3-4-17-8)11-9-1-2-13-10(9)14-7-15-11;1-2/h1-2,7-8H,3-6,12H2,(H,13,14,15);1-2H3
InChIKeyMNUOOOUCYVDONX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.15
Rot. Bonds2

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

ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine (PubChem CID 143698287) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Nameethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
PubChem CID143698287
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Nameethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
SMILESCC.NCC1CN(c2ncnc3[nH]ccc23)CCO1
InChIInChI=1S/C11H15N5O.C2H6/c12-5-8-6-16(3-4-17-8)11-9-1-2-13-10(9)14-7-15-11;1-2/h1-2,7-8H,3-6,12H2,(H,13,14,15);1-2H3
InChIKeyMNUOOOUCYVDONX-UHFFFAOYSA-N
XLogP1.15
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetonitrile
CID 141383930
[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4-oxazepan-6-yl]methanol
CID 70704970
2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
CID 18008420
4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine
CID 138042922
3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane
CID 143698276
4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167838700
4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 143698242
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
CID 61337016
(4-thieno[3,2-c]pyridin-4-ylmorpholin-2-yl)methanamine
CID 61338182
N-methyl-N-prop-2-ynyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 123829826
4-[3-(2,2-difluoroethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 138000891

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine?
The IUPAC name of ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine (CID 143698287) is ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine?
The canonical SMILES for ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine is CC.NCC1CN(c2ncnc3[nH]ccc23)CCO1.
What is the InChIKey of ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine?
The InChIKey is MNUOOOUCYVDONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O.C2H6/c12-5-8-6-16(3-4-17-8)11-9-1-2-13-10(9)14-7-15-11;1-2/h1-2,7-8H,3-6,12H2,(H,13,14,15);1-2H3.
What are the key properties of ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine?
ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine has a molecular weight of 263.34 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 143698287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).