4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine

C15H11N5 — CID 5257090

IUPAC4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2nccc3c2[nH]c2ccccc23)n1
InChIInChI=1S/C15H11N5/c16-15-18-8-6-12(20-15)14-13-10(5-7-17-14)9-3-1-2-4-11(9)19-13/h1-8,19H,(H2,16,18,20)
InChIKeyIUDMZJRPDRCJEB-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.76
Rot. Bonds1

About 4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine

4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine (PubChem CID 5257090) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
PubChem CID5257090
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2nccc3c2[nH]c2ccccc23)n1
InChIInChI=1S/C15H11N5/c16-15-18-8-6-12(20-15)14-13-10(5-7-17-14)9-3-1-2-4-11(9)19-13/h1-8,19H,(H2,16,18,20)
InChIKeyIUDMZJRPDRCJEB-UHFFFAOYSA-N
XLogP2.76
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine (CID 5257090) is 4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine is Nc1nccc(-c2nccc3c2[nH]c2ccccc23)n1.
What is the InChIKey of 4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine?
The InChIKey is IUDMZJRPDRCJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-15-18-8-6-12(20-15)14-13-10(5-7-17-14)9-3-1-2-4-11(9)19-13/h1-8,19H,(H2,16,18,20).
What are the key properties of 4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine?
4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 5257090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).