6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine

C20H19N5O — CID 11559269

IUPAC6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine
SMILESCOc1cnc2[nH]cc(-c3cc(N[C@@H](C)c4ccccc4)ncn3)c2c1
InChIInChI=1S/C20H19N5O/c1-13(14-6-4-3-5-7-14)25-19-9-18(23-12-24-19)17-11-22-20-16(17)8-15(26-2)10-21-20/h3-13H,1-2H3,(H,21,22)(H,23,24,25)/t13-/m0/s1
InChIKeyZSUKZRWAURGRMA-ZDUSSCGKSA-N
MW345.41 g/mol
LogP4.20
Rot. Bonds5

About 6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine

6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine (PubChem CID 11559269) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine
PubChem CID11559269
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine
SMILESCOc1cnc2[nH]cc(-c3cc(N[C@@H](C)c4ccccc4)ncn3)c2c1
InChIInChI=1S/C20H19N5O/c1-13(14-6-4-3-5-7-14)25-19-9-18(23-12-24-19)17-11-22-20-16(17)8-15(26-2)10-21-20/h3-13H,1-2H3,(H,21,22)(H,23,24,25)/t13-/m0/s1
InChIKeyZSUKZRWAURGRMA-ZDUSSCGKSA-N
XLogP4.20
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-phenylethyl]pyridin-2-amine;molecular hydrogen
CID 159000986
6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112854699
6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453564
6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 175167535
5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 122608786
N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine
CID 11581661
N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453611
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347558
6-N-(2,6-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112859346
N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859300

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine?
The IUPAC name of 6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine (CID 11559269) is 6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine is COc1cnc2[nH]cc(-c3cc(N[C@@H](C)c4ccccc4)ncn3)c2c1.
What is the InChIKey of 6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine?
The InChIKey is ZSUKZRWAURGRMA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13(14-6-4-3-5-7-14)25-19-9-18(23-12-24-19)17-11-22-20-16(17)8-15(26-2)10-21-20/h3-13H,1-2H3,(H,21,22)(H,23,24,25)/t13-/m0/s1.
What are the key properties of 6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine?
6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine is sourced from PubChem (CID 11559269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).