6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C20H15N5 — CID 155309546

IUPAC6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESC#Cc1cc(-c2c(-c3ccccc3)c3c(N)ncnc3n2C)ccn1
InChIInChI=1S/C20H15N5/c1-3-15-11-14(9-10-22-15)18-16(13-7-5-4-6-8-13)17-19(21)23-12-24-20(17)25(18)2/h1,4-12H,2H3,(H2,21,23,24)
InChIKeySCHAXBNQUXGYME-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.26
Rot. Bonds2

About 6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155309546) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID155309546
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESC#Cc1cc(-c2c(-c3ccccc3)c3c(N)ncnc3n2C)ccn1
InChIInChI=1S/C20H15N5/c1-3-15-11-14(9-10-22-15)18-16(13-7-5-4-6-8-13)17-19(21)23-12-24-20(17)25(18)2/h1,4-12H,2H3,(H2,21,23,24)
InChIKeySCHAXBNQUXGYME-UHFFFAOYSA-N
XLogP3.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-(6-ethynyl-2-methyl-3-pyridinyl)-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155309094
6-(5-ethynyl-3-methylpyrazin-2-yl)-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155287492
6-(6-ethynyl-5-fluoro-3-pyridinyl)-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155309521
5-[4-[4-[2-[4-amino-6-(3-ethynylisoquinolin-7-yl)-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]pyrimidin-2-yl]oxy-3-fluorophenyl]-6-(2-ethynylquinolin-6-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 155310034
5-[4-[4-amino-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-1,3-oxazole-2-carbonitrile
CID 155309035
7-benzyl-6-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 59536508
7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 2926784
4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)benzoic acid
CID 155723166
N-[4-[4-amino-7-methyl-5-[4-[methyl(pyrimidin-2-yl)amino]phenyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]prop-2-enamide
CID 155308917
7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54548436
N-[4-[4-amino-5-(3-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]prop-2-enamide
CID 155309539
N-[4-[4-amino-5-[4-[(6-cyano-2-pyridinyl)oxy]phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]propanamide
CID 155309160

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 155309546) is 6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is C#Cc1cc(-c2c(-c3ccccc3)c3c(N)ncnc3n2C)ccn1.
What is the InChIKey of 6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SCHAXBNQUXGYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c1-3-15-11-14(9-10-22-15)18-16(13-7-5-4-6-8-13)17-19(21)23-12-24-20(17)25(18)2/h1,4-12H,2H3,(H2,21,23,24).
What are the key properties of 6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 325.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethynyl-4-pyridinyl)-7-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155309546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).