N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H15N5 — CID 50976350

IUPACN-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1cccc2cnccc12)c1ncnc2[nH]ccc12
InChIInChI=1S/C17H15N5/c1-22(17-15-6-8-19-16(15)20-11-21-17)10-13-4-2-3-12-9-18-7-5-14(12)13/h2-9,11H,10H2,1H3,(H,19,20,21)
InChIKeyBZGJLRPLEOPMRK-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.14
Rot. Bonds3

About N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 50976350) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID50976350
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC NameN-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1cccc2cnccc12)c1ncnc2[nH]ccc12
InChIInChI=1S/C17H15N5/c1-22(17-15-6-8-19-16(15)20-11-21-17)10-13-4-2-3-12-9-18-7-5-14(12)13/h2-9,11H,10H2,1H3,(H,19,20,21)
InChIKeyBZGJLRPLEOPMRK-UHFFFAOYSA-N
XLogP3.14
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50950589
N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide
CID 131936529
1-(6-chloro-3-pyridinyl)-N-(isoquinolin-5-ylmethyl)-N-methylmethanamine
CID 56713738
6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 50968092
4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
CID 139004842
5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 62823715
3-acetamido-N-(isoquinolin-5-ylmethyl)-N-methylpropanamide
CID 131927016
N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine
CID 42243787
N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50966877
N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50968501
1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine
CID 131912352
5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline
CID 56871516

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 50976350) is N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(Cc1cccc2cnccc12)c1ncnc2[nH]ccc12.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BZGJLRPLEOPMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-22(17-15-6-8-19-16(15)20-11-21-17)10-13-4-2-3-12-9-18-7-5-14(12)13/h2-9,11H,10H2,1H3,(H,19,20,21).
What are the key properties of N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50976350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).