9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine

C21H19N5 — CID 10759656

IUPAC9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine
SMILESNc1nc(-c2ccncc2)nc2c1c1c(n2-c2ccccc2)CCCC1
InChIInChI=1S/C21H19N5/c22-19-18-16-8-4-5-9-17(16)26(15-6-2-1-3-7-15)21(18)25-20(24-19)14-10-12-23-13-11-14/h1-3,6-7,10-13H,4-5,8-9H2,(H2,22,24,25)
InChIKeySDJAYHMBLOZYSH-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.94
Rot. Bonds2

About 9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine

9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine (PubChem CID 10759656) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound Name9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine
PubChem CID10759656
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine
SMILESNc1nc(-c2ccncc2)nc2c1c1c(n2-c2ccccc2)CCCC1
InChIInChI=1S/C21H19N5/c22-19-18-16-8-4-5-9-17(16)26(15-6-2-1-3-7-15)21(18)25-20(24-19)14-10-12-23-13-11-14/h1-3,6-7,10-13H,4-5,8-9H2,(H2,22,24,25)
InChIKeySDJAYHMBLOZYSH-UHFFFAOYSA-N
XLogP3.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine?
The IUPAC name of 9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine (CID 10759656) is 9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for 9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine?
The canonical SMILES for 9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine is Nc1nc(-c2ccncc2)nc2c1c1c(n2-c2ccccc2)CCCC1.
What is the InChIKey of 9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine?
The InChIKey is SDJAYHMBLOZYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c22-19-18-16-8-4-5-9-17(16)26(15-6-2-1-3-7-15)21(18)25-20(24-19)14-10-12-23-13-11-14/h1-3,6-7,10-13H,4-5,8-9H2,(H2,22,24,25).
What are the key properties of 9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine?
9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine has a molecular weight of 341.42 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 10759656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).