6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine

C17H19N5 — CID 141146133

IUPAC6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ncc2cc(-c3ccc(CN4CCNCC4)cc3)[nH]c2n1
InChIInChI=1S/C17H19N5/c1-3-14(16-9-15-10-19-12-20-17(15)21-16)4-2-13(1)11-22-7-5-18-6-8-22/h1-4,9-10,12,18H,5-8,11H2,(H,19,20,21)
InChIKeyVBNXDWSUJJFJAP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.03
Rot. Bonds3

About 6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine

6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 141146133) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID141146133
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ncc2cc(-c3ccc(CN4CCNCC4)cc3)[nH]c2n1
InChIInChI=1S/C17H19N5/c1-3-14(16-9-15-10-19-12-20-17(15)21-16)4-2-13(1)11-22-7-5-18-6-8-22/h1-4,9-10,12,18H,5-8,11H2,(H,19,20,21)
InChIKeyVBNXDWSUJJFJAP-UHFFFAOYSA-N
XLogP2.03
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine
CID 141396568
N-(1-phenylethyl)-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69232929
ethyl 4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
CID 140987862
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117399583
4-[[4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperazine-1-carboxylic acid
CID 175073157
6-methyl-2-[4-(piperazin-1-ylmethyl)phenyl]-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 163993247
N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine
CID 129245693
5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]-2H-isoquinolin-1-one
CID 71737385
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
2-(piperazin-1-ylmethyl)-1,3,5-triazine
CID 82468295
6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 165390866

Frequently Asked Questions

What is the IUPAC name of 6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine (CID 141146133) is 6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine is c1ncc2cc(-c3ccc(CN4CCNCC4)cc3)[nH]c2n1.
What is the InChIKey of 6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is VBNXDWSUJJFJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-3-14(16-9-15-10-19-12-20-17(15)21-16)4-2-13(1)11-22-7-5-18-6-8-22/h1-4,9-10,12,18H,5-8,11H2,(H,19,20,21).
What are the key properties of 6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 293.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 141146133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).