4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine

C15H11N5 — CID 70911517

IUPAC4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2ccc3[nH]c4ncccc4c3c2)n1
InChIInChI=1S/C15H11N5/c16-15-18-7-5-12(20-15)9-3-4-13-11(8-9)10-2-1-6-17-14(10)19-13/h1-8H,(H,17,19)(H2,16,18,20)
InChIKeyZFOLSXNZQSKEAE-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.76
Rot. Bonds1

About 4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine

4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine (PubChem CID 70911517) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine
PubChem CID70911517
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2ccc3[nH]c4ncccc4c3c2)n1
InChIInChI=1S/C15H11N5/c16-15-18-7-5-12(20-15)9-3-4-13-11(8-9)10-2-1-6-17-14(10)19-13/h1-8H,(H,17,19)(H2,16,18,20)
InChIKeyZFOLSXNZQSKEAE-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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Related Compounds

8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 68935708
6-(2-pyridin-2-ylphenyl)-9H-pyrido[2,3-b]indole
CID 163984381
4-(1H-indazol-5-yl)pyrimidin-2-amine
CID 54420708
3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole
CID 130353330
4-(3-aminophenyl)pyrimidin-2-amine
CID 55250731
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 129206992
4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257090
2-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 69258073
1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 57456842
4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
CID 67553522
4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44548154
2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 67356790

Frequently Asked Questions

What is the IUPAC name of 4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine?
The IUPAC name of 4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine (CID 70911517) is 4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine is Nc1nccc(-c2ccc3[nH]c4ncccc4c3c2)n1.
What is the InChIKey of 4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine?
The InChIKey is ZFOLSXNZQSKEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-15-18-7-5-12(20-15)9-3-4-13-11(8-9)10-2-1-6-17-14(10)19-13/h1-8H,(H,17,19)(H2,16,18,20).
What are the key properties of 4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine?
4-(9H-pyrido[2,3-b]indol-6-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[2,3-b]indol-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 70911517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).