6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C16H15BrN4 — CID 11372399

IUPAC6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3Nc1ncccn1
InChIInChI=1S/C16H15BrN4/c17-10-5-6-13-12(9-10)11-3-1-4-14(15(11)20-13)21-16-18-7-2-8-19-16/h2,5-9,14,20H,1,3-4H2,(H,18,19,21)
InChIKeyOWJHQUAKZFARQX-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.21
Rot. Bonds2

About 6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 11372399) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID11372399
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3Nc1ncccn1
InChIInChI=1S/C16H15BrN4/c17-10-5-6-13-12(9-10)11-3-1-4-14(15(11)20-13)21-16-18-7-2-8-19-16/h2,5-9,14,20H,1,3-4H2,(H,18,19,21)
InChIKeyOWJHQUAKZFARQX-UHFFFAOYSA-N
XLogP4.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 11372399) is 6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is Brc1ccc2[nH]c3c(c2c1)CCCC3Nc1ncccn1.
What is the InChIKey of 6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is OWJHQUAKZFARQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c17-10-5-6-13-12(9-10)11-3-1-4-14(15(11)20-13)21-16-18-7-2-8-19-16/h2,5-9,14,20H,1,3-4H2,(H,18,19,21).
What are the key properties of 6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 343.23 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 11372399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).