6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline

C15H14N4 — CID 166509629

IUPAC6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1nc(-c2ccc3c(c2)CCNC3)c2cc[nH]c2n1
InChIInChI=1S/C15H14N4/c1-2-12-8-16-5-3-10(12)7-11(1)14-13-4-6-17-15(13)19-9-18-14/h1-2,4,6-7,9,16H,3,5,8H2,(H,17,18,19)
InChIKeyMKDCNUXIUGNQGA-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.27
Rot. Bonds1

About 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline

6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 166509629) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID166509629
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1nc(-c2ccc3c(c2)CCNC3)c2cc[nH]c2n1
InChIInChI=1S/C15H14N4/c1-2-12-8-16-5-3-10(12)7-11(1)14-13-4-6-17-15(13)19-9-18-14/h1-2,4,6-7,9,16H,3,5,8H2,(H,17,18,19)
InChIKeyMKDCNUXIUGNQGA-UHFFFAOYSA-N
XLogP2.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline (CID 166509629) is 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline is c1nc(-c2ccc3c(c2)CCNC3)c2cc[nH]c2n1.
What is the InChIKey of 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MKDCNUXIUGNQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-12-8-16-5-3-10(12)7-11(1)14-13-4-6-17-15(13)19-9-18-14/h1-2,4,6-7,9,16H,3,5,8H2,(H,17,18,19).
What are the key properties of 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline?
6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 250.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 166509629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).