2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine

C13H18N4O — CID 82665029

IUPAC2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine
SMILESCOc1ncc2c(n1)c(C1CCCCN1)cn2C
InChIInChI=1S/C13H18N4O/c1-17-8-9(10-5-3-4-6-14-10)12-11(17)7-15-13(16-12)18-2/h7-8,10,14H,3-6H2,1-2H3
InChIKeyISEIUNIYQROBTO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.79
Rot. Bonds2

About 2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine

2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine (PubChem CID 82665029) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine
PubChem CID82665029
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine
SMILESCOc1ncc2c(n1)c(C1CCCCN1)cn2C
InChIInChI=1S/C13H18N4O/c1-17-8-9(10-5-3-4-6-14-10)12-11(17)7-15-13(16-12)18-2/h7-8,10,14H,3-6H2,1-2H3
InChIKeyISEIUNIYQROBTO-UHFFFAOYSA-N
XLogP1.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-6-piperidin-2-yl-1,2,4-triazine
CID 130118096
6-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55273653
2-methoxy-5-(5-piperidin-2-ylimidazol-1-yl)pyridine
CID 114702661
2-(4-methoxy-1-methylpyrazol-5-yl)piperidine
CID 114663133
2-(1,5-dimethylpyrazol-4-yl)azepane
CID 81147325
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
2-[2-(2-methoxyethoxy)phenyl]piperidine
CID 104662497
5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 142533269
5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine;hydrochloride
CID 154957348
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
2-chloro-4-methyl-5-piperidin-2-ylpyrimidine
CID 115070172
8-methoxy-4-piperidin-2-ylquinoline
CID 82664370

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine (CID 82665029) is 2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine is COc1ncc2c(n1)c(C1CCCCN1)cn2C.
What is the InChIKey of 2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine?
The InChIKey is ISEIUNIYQROBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-8-9(10-5-3-4-6-14-10)12-11(17)7-15-13(16-12)18-2/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine?
2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine has a molecular weight of 246.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 82665029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).