2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine

C12H16N4O2 — CID 82665137

IUPAC2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine
SMILESCOc1ncc2c(n1)c(C1CNCCO1)cn2C
InChIInChI=1S/C12H16N4O2/c1-16-7-8(10-6-13-3-4-18-10)11-9(16)5-14-12(15-11)17-2/h5,7,10,13H,3-4,6H2,1-2H3
InChIKeyXOPVNLNSSUHVBI-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.64
Rot. Bonds2

About 2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine

2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine (PubChem CID 82665137) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine
PubChem CID82665137
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine
SMILESCOc1ncc2c(n1)c(C1CNCCO1)cn2C
InChIInChI=1S/C12H16N4O2/c1-16-7-8(10-6-13-3-4-18-10)11-9(16)5-14-12(15-11)17-2/h5,7,10,13H,3-4,6H2,1-2H3
InChIKeyXOPVNLNSSUHVBI-UHFFFAOYSA-N
XLogP0.64
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-methoxy-5-methylpyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane
CID 82666384
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
ethane;2-(1-methylpyrazol-4-yl)morpholine
CID 177151428
2-[1-(2-methoxyethyl)benzimidazol-2-yl]morpholine;dihydrochloride
CID 170916966
2-(6-methoxyimidazo[1,5-a]pyridin-3-yl)morpholine
CID 105492688
2-(3-bromo-1-methylindazol-4-yl)morpholine
CID 117477160
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 94552518
2-(6-bromo-3-pyridinyl)morpholine;hydrochloride
CID 170910722
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
2-(3-methoxy-2,4-dimethylphenyl)morpholine
CID 117316054
2-(8-methoxyimidazo[1,2-a]pyridin-2-yl)morpholine
CID 105492700

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine?
The IUPAC name of 2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine (CID 82665137) is 2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine?
The canonical SMILES for 2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine is COc1ncc2c(n1)c(C1CNCCO1)cn2C.
What is the InChIKey of 2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine?
The InChIKey is XOPVNLNSSUHVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16-7-8(10-6-13-3-4-18-10)11-9(16)5-14-12(15-11)17-2/h5,7,10,13H,3-4,6H2,1-2H3.
What are the key properties of 2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine?
2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine has a molecular weight of 248.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 82665137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).