2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine

C13H19N5O — CID 82666177

IUPAC2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ncc2[nH]cc(C3CCNCCN3C)c2n1
InChIInChI=1S/C13H19N5O/c1-18-6-5-14-4-3-11(18)9-7-15-10-8-16-13(19-2)17-12(9)10/h7-8,11,14-15H,3-6H2,1-2H3
InChIKeyWJKAUIRSYOONSJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.93
Rot. Bonds2

About 2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine

2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 82666177) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID82666177
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ncc2[nH]cc(C3CCNCCN3C)c2n1
InChIInChI=1S/C13H19N5O/c1-18-6-5-14-4-3-11(18)9-7-15-10-8-16-13(19-2)17-12(9)10/h7-8,11,14-15H,3-6H2,1-2H3
InChIKeyWJKAUIRSYOONSJ-UHFFFAOYSA-N
XLogP0.93
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286366
7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane
CID 82665866
7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane
CID 82666973
7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
CID 82665869
3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine
CID 82666157
2-methoxy-5-methyl-7-piperidin-2-ylpyrrolo[3,2-d]pyrimidine
CID 82665029
7-(3-chloro-4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82623320
7-(3-ethoxyphenyl)-1-methyl-1,4-diazepane
CID 82290812
N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine
CID 107173705
2-(2-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-7-yl)morpholine
CID 82665137
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959692
2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride
CID 70047208

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine (CID 82666177) is 2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine is COc1ncc2[nH]cc(C3CCNCCN3C)c2n1.
What is the InChIKey of 2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is WJKAUIRSYOONSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-18-6-5-14-4-3-11(18)9-7-15-10-8-16-13(19-2)17-12(9)10/h7-8,11,14-15H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine?
2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 261.33 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 82666177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).