4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C26H23N5 — CID 71019655

IUPAC4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)c1ccccc1-c1nc(Nc2ccc(-c3cccnc3)cc2)nc2[nH]ccc12
InChIInChI=1S/C26H23N5/c1-17(2)21-7-3-4-8-22(21)24-23-13-15-28-25(23)31-26(30-24)29-20-11-9-18(10-12-20)19-6-5-14-27-16-19/h3-17H,1-2H3,(H2,28,29,30,31)
InChIKeyXVPXEQHKKGEDOQ-UHFFFAOYSA-N
MW405.51 g/mol
LogP6.55
Rot. Bonds5

About 4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 71019655) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is 4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID71019655
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC Name4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)c1ccccc1-c1nc(Nc2ccc(-c3cccnc3)cc2)nc2[nH]ccc12
InChIInChI=1S/C26H23N5/c1-17(2)21-7-3-4-8-22(21)24-23-13-15-28-25(23)31-26(30-24)29-20-11-9-18(10-12-20)19-6-5-14-27-16-19/h3-17H,1-2H3,(H2,28,29,30,31)
InChIKeyXVPXEQHKKGEDOQ-UHFFFAOYSA-N
XLogP6.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

3-[5-methyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]pyridine
CID 174532119
2-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 68935386
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine
CID 89458114
3-azulen-6-ylpyridine
CID 86232079
6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094086
4-N-fluoro-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 145336760
6-methyl-4-phenyl-N-pyridin-3-ylquinazolin-2-amine
CID 4714222
3-(4-fluoro-3-propan-2-ylphenyl)pyridine
CID 83381583
4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 156781483
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 25262602

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 71019655) is 4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CC(C)c1ccccc1-c1nc(Nc2ccc(-c3cccnc3)cc2)nc2[nH]ccc12.
What is the InChIKey of 4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is XVPXEQHKKGEDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c1-17(2)21-7-3-4-8-22(21)24-23-13-15-28-25(23)31-26(30-24)29-20-11-9-18(10-12-20)19-6-5-14-27-16-19/h3-17H,1-2H3,(H2,28,29,30,31).
What are the key properties of 4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 405.51 g/mol, XLogP of 6.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylphenyl)-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 71019655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).